USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1037 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 GLN : amide:sc= -0.619 K(o=-0.6,f=-2.3!) USER MOD Set 1.2: A 117 TYR OH : rot 165:sc= 0.0227 USER MOD Set 2.1: A 116 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 125 LYS NZ :NH3+ -151:sc= -0.653 (180deg=-2.02) USER MOD Set 3.1: A 46 LYS NZ :NH3+ 137:sc= -4.43! (180deg=-4.23!) USER MOD Set 3.2: A 48 THR OG1 : rot 90:sc= -3.08! USER MOD Set 4.1: A 7 LYS NZ :NH3+ -152:sc= -0.0887 (180deg=-0.539) USER MOD Set 4.2: A 35 ASN : amide:sc= -0.0417 X(o=-0.13,f=-0.26) USER MOD Set 5.1: A 18 MET CE :methyl -170:sc= -1.47 (180deg=-1.89) USER MOD Set 5.2: A 21 MET CE :methyl 152:sc= -0.413 (180deg=-1.7!) USER MOD Set 5.3: A 76 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 4 SER OG : rot 75:sc= 0.757 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 81:sc= 0.537 USER MOD Single : A 13 ASN : amide:sc= 0.0507 K(o=0.051,f=-1.2) USER MOD Single : A 14 TYR OH : rot 180:sc= -1.24! USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -1.45 (180deg=-2.91!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.456 F(o=-8!,f=-0.46) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= -3.02 (180deg=-3.26!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.87 X(o=-1.9,f=-1.7) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= -3.02! (180deg=-3.07!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.66 K(o=-0.66,f=-2.1!) USER MOD Single : A 45 ASN : amide:sc= -0.0135 X(o=-0.013,f=-0.036) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -34:sc= -0.288! USER MOD Single : A 53 SER OG : rot -170:sc= -1.05 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.447 F(o=-1.6!,f=-0.45) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0769 USER MOD Single : A 69 ASN : amide:sc= -0.451 K(o=-0.45,f=-6!) USER MOD Single : A 71 ASN :FLIP amide:sc= 0.373 F(o=-4.3!,f=0.37) USER MOD Single : A 81 THR OG1 : rot -86:sc= -1.11! USER MOD Single : A 83 SER OG : rot 180:sc= -0.013 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.643 (180deg=-1.16) USER MOD Single : A 96 THR OG1 : rot -102:sc= -2.75 USER MOD Single : A 98 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.066) USER MOD Single : A 100 ASN : amide:sc= -0.165 K(o=-0.17,f=-3!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 63:sc= -0.318! USER MOD Single : A 119 TYR OH : rot -43:sc= -2.6 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ASP A 3 114.596 7.200 -9.902 1.00 0.00 N ATOM 34 CA ASP A 3 113.831 8.395 -10.356 1.00 0.00 C ATOM 35 C ASP A 3 113.126 8.082 -11.678 1.00 0.00 C ATOM 36 O ASP A 3 113.701 8.199 -12.741 1.00 0.00 O ATOM 37 CB ASP A 3 114.793 9.569 -10.558 1.00 0.00 C ATOM 38 CG ASP A 3 114.008 10.797 -11.025 1.00 0.00 C ATOM 39 OD1 ASP A 3 114.255 11.869 -10.497 1.00 0.00 O ATOM 40 OD2 ASP A 3 113.176 10.644 -11.904 1.00 0.00 O ATOM 0 HA ASP A 3 113.088 8.657 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.315 9.790 -9.627 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.553 9.308 -11.295 1.00 0.00 H new ATOM 45 N SER A 4 111.882 7.685 -11.618 1.00 0.00 N ATOM 46 CA SER A 4 111.140 7.367 -12.871 1.00 0.00 C ATOM 47 C SER A 4 109.908 6.519 -12.537 1.00 0.00 C ATOM 48 O SER A 4 109.487 6.439 -11.397 1.00 0.00 O ATOM 49 CB SER A 4 112.054 6.592 -13.824 1.00 0.00 C ATOM 50 OG SER A 4 112.708 7.508 -14.694 1.00 0.00 O ATOM 0 H SER A 4 111.349 7.568 -10.756 1.00 0.00 H new ATOM 0 HA SER A 4 110.822 8.294 -13.349 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.790 6.022 -13.257 1.00 0.00 H new ATOM 0 HB3 SER A 4 111.472 5.875 -14.403 1.00 0.00 H new ATOM 0 HG SER A 4 113.415 7.977 -14.204 1.00 0.00 H new ATOM 56 N THR A 5 109.327 5.888 -13.522 1.00 0.00 N ATOM 57 CA THR A 5 108.124 5.047 -13.264 1.00 0.00 C ATOM 58 C THR A 5 108.549 3.589 -13.089 1.00 0.00 C ATOM 59 O THR A 5 109.460 3.112 -13.737 1.00 0.00 O ATOM 60 CB THR A 5 107.159 5.161 -14.447 1.00 0.00 C ATOM 61 OG1 THR A 5 106.656 6.488 -14.519 1.00 0.00 O ATOM 62 CG2 THR A 5 105.998 4.182 -14.257 1.00 0.00 C ATOM 0 H THR A 5 109.634 5.919 -14.494 1.00 0.00 H new ATOM 0 HA THR A 5 107.628 5.391 -12.357 1.00 0.00 H new ATOM 0 HB THR A 5 107.685 4.921 -15.371 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.039 6.563 -15.277 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.311 4.264 -15.100 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.385 3.165 -14.202 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.469 4.419 -13.334 1.00 0.00 H new ATOM 70 N TRP A 6 107.897 2.878 -12.211 1.00 0.00 N ATOM 71 CA TRP A 6 108.261 1.451 -11.979 1.00 0.00 C ATOM 72 C TRP A 6 107.015 0.677 -11.549 1.00 0.00 C ATOM 73 O TRP A 6 105.990 1.256 -11.252 1.00 0.00 O ATOM 74 CB TRP A 6 109.307 1.366 -10.874 1.00 0.00 C ATOM 75 CG TRP A 6 110.323 2.449 -11.050 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.106 3.765 -10.828 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.711 2.329 -11.472 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.275 4.460 -11.081 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.294 3.618 -11.482 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.513 1.237 -11.842 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.627 3.813 -11.846 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.853 1.428 -12.206 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.411 2.714 -12.208 1.00 0.00 C ATOM 0 H TRP A 6 107.125 3.225 -11.642 1.00 0.00 H new ATOM 0 HA TRP A 6 108.664 1.024 -12.898 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.828 1.460 -9.900 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.794 0.391 -10.897 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.172 4.202 -10.506 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.373 5.471 -10.983 1.00 0.00 H new ATOM 0 HE3 TRP A 6 112.094 0.242 -11.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.050 4.807 -11.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.459 0.579 -12.487 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.444 2.855 -12.489 1.00 0.00 H new ATOM 94 N LYS A 7 107.087 -0.626 -11.512 1.00 0.00 N ATOM 95 CA LYS A 7 105.899 -1.418 -11.097 1.00 0.00 C ATOM 96 C LYS A 7 106.351 -2.743 -10.489 1.00 0.00 C ATOM 97 O LYS A 7 107.202 -3.425 -11.025 1.00 0.00 O ATOM 98 CB LYS A 7 105.008 -1.683 -12.315 1.00 0.00 C ATOM 99 CG LYS A 7 105.544 -2.885 -13.099 1.00 0.00 C ATOM 100 CD LYS A 7 104.820 -2.984 -14.443 1.00 0.00 C ATOM 101 CE LYS A 7 103.508 -3.750 -14.260 1.00 0.00 C ATOM 102 NZ LYS A 7 103.804 -5.188 -14.003 1.00 0.00 N ATOM 0 H LYS A 7 107.914 -1.173 -11.751 1.00 0.00 H new ATOM 0 HA LYS A 7 105.333 -0.858 -10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 7 103.984 -1.874 -11.993 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.981 -0.802 -12.956 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.617 -2.779 -13.259 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.396 -3.801 -12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.620 -1.987 -14.835 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.452 -3.492 -15.172 1.00 0.00 H new ATOM 0 HE2 LYS A 7 102.942 -3.330 -13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 7 102.888 -3.649 -15.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 103.011 -5.771 -14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 104.671 -5.460 -14.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 103.937 -5.338 -12.982 1.00 0.00 H new ATOM 116 N VAL A 8 105.787 -3.114 -9.372 1.00 0.00 N ATOM 117 CA VAL A 8 106.182 -4.395 -8.730 1.00 0.00 C ATOM 118 C VAL A 8 106.440 -5.446 -9.806 1.00 0.00 C ATOM 119 O VAL A 8 105.531 -5.968 -10.418 1.00 0.00 O ATOM 120 CB VAL A 8 105.065 -4.861 -7.790 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.713 -4.406 -8.337 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.082 -6.388 -7.676 1.00 0.00 C ATOM 0 H VAL A 8 105.070 -2.584 -8.878 1.00 0.00 H new ATOM 0 HA VAL A 8 107.094 -4.250 -8.151 1.00 0.00 H new ATOM 0 HB VAL A 8 105.224 -4.426 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 8 102.919 -4.738 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.697 -3.318 -8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.557 -4.837 -9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.285 -6.712 -7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.929 -6.828 -8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.044 -6.713 -7.279 1.00 0.00 H new ATOM 132 N ASP A 9 107.683 -5.764 -10.028 1.00 0.00 N ATOM 133 CA ASP A 9 108.019 -6.790 -11.046 1.00 0.00 C ATOM 134 C ASP A 9 108.245 -8.111 -10.322 1.00 0.00 C ATOM 135 O ASP A 9 107.974 -9.174 -10.843 1.00 0.00 O ATOM 136 CB ASP A 9 109.292 -6.381 -11.791 1.00 0.00 C ATOM 137 CG ASP A 9 109.631 -7.437 -12.844 1.00 0.00 C ATOM 138 OD1 ASP A 9 109.321 -8.595 -12.615 1.00 0.00 O ATOM 139 OD2 ASP A 9 110.196 -7.071 -13.861 1.00 0.00 O ATOM 0 H ASP A 9 108.483 -5.355 -9.545 1.00 0.00 H new ATOM 0 HA ASP A 9 107.210 -6.888 -11.770 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.151 -5.410 -12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 9 110.119 -6.275 -11.088 1.00 0.00 H new ATOM 144 N ARG A 10 108.731 -8.047 -9.113 1.00 0.00 N ATOM 145 CA ARG A 10 108.962 -9.301 -8.343 1.00 0.00 C ATOM 146 C ARG A 10 108.705 -9.042 -6.854 1.00 0.00 C ATOM 147 O ARG A 10 108.638 -7.912 -6.416 1.00 0.00 O ATOM 148 CB ARG A 10 110.403 -9.777 -8.551 1.00 0.00 C ATOM 149 CG ARG A 10 110.952 -9.200 -9.859 1.00 0.00 C ATOM 150 CD ARG A 10 112.382 -9.699 -10.075 1.00 0.00 C ATOM 151 NE ARG A 10 112.896 -9.186 -11.376 1.00 0.00 N ATOM 152 CZ ARG A 10 113.928 -9.751 -11.938 1.00 0.00 C ATOM 153 NH1 ARG A 10 114.377 -9.303 -13.079 1.00 0.00 N ATOM 154 NH2 ARG A 10 114.514 -10.764 -11.359 1.00 0.00 N ATOM 0 H ARG A 10 108.977 -7.185 -8.627 1.00 0.00 H new ATOM 0 HA ARG A 10 108.279 -10.074 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 10 111.025 -9.462 -7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.436 -10.866 -8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 10 110.320 -9.500 -10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.937 -8.111 -9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 10 113.023 -9.362 -9.260 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.403 -10.789 -10.068 1.00 0.00 H new ATOM 0 HE ARG A 10 112.440 -8.393 -11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.920 -8.511 -13.531 1.00 0.00 H new ATOM 0 HH12 ARG A 10 115.184 -9.745 -13.518 1.00 0.00 H new ATOM 0 HH21 ARG A 10 114.164 -11.114 -10.467 1.00 0.00 H new ATOM 0 HH22 ARG A 10 115.321 -11.206 -11.799 1.00 0.00 H new ATOM 168 N SER A 11 108.551 -10.081 -6.076 1.00 0.00 N ATOM 169 CA SER A 11 108.292 -9.894 -4.618 1.00 0.00 C ATOM 170 C SER A 11 108.498 -11.227 -3.891 1.00 0.00 C ATOM 171 O SER A 11 108.791 -12.234 -4.503 1.00 0.00 O ATOM 172 CB SER A 11 106.853 -9.419 -4.413 1.00 0.00 C ATOM 173 OG SER A 11 106.433 -9.746 -3.095 1.00 0.00 O ATOM 0 H SER A 11 108.593 -11.051 -6.387 1.00 0.00 H new ATOM 0 HA SER A 11 108.980 -9.150 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.787 -8.343 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.195 -9.889 -5.144 1.00 0.00 H new ATOM 0 HG SER A 11 106.781 -9.080 -2.466 1.00 0.00 H new ATOM 179 N GLU A 12 108.350 -11.246 -2.591 1.00 0.00 N ATOM 180 CA GLU A 12 108.545 -12.522 -1.847 1.00 0.00 C ATOM 181 C GLU A 12 107.787 -12.470 -0.514 1.00 0.00 C ATOM 182 O GLU A 12 107.532 -11.413 0.030 1.00 0.00 O ATOM 183 CB GLU A 12 110.048 -12.737 -1.604 1.00 0.00 C ATOM 184 CG GLU A 12 110.335 -12.914 -0.108 1.00 0.00 C ATOM 185 CD GLU A 12 111.829 -13.175 0.096 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.255 -13.192 1.239 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.519 -13.354 -0.894 1.00 0.00 O ATOM 0 H GLU A 12 108.104 -10.439 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 12 108.154 -13.354 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 12 110.388 -13.616 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.609 -11.886 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 12 110.033 -12.021 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.752 -13.745 0.290 1.00 0.00 H new ATOM 194 N ASN A 13 107.434 -13.615 0.013 1.00 0.00 N ATOM 195 CA ASN A 13 106.699 -13.661 1.311 1.00 0.00 C ATOM 196 C ASN A 13 105.391 -12.873 1.199 1.00 0.00 C ATOM 197 O ASN A 13 104.459 -13.290 0.541 1.00 0.00 O ATOM 198 CB ASN A 13 107.575 -13.060 2.415 1.00 0.00 C ATOM 199 CG ASN A 13 108.490 -14.144 2.987 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.843 -15.083 2.300 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.894 -14.053 4.224 1.00 0.00 N ATOM 0 H ASN A 13 107.625 -14.526 -0.404 1.00 0.00 H new ATOM 0 HA ASN A 13 106.467 -14.697 1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 13 108.171 -12.240 2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.949 -12.644 3.204 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.506 -14.769 4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.598 -13.265 4.801 1.00 0.00 H new ATOM 208 N TYR A 14 105.313 -11.736 1.836 1.00 0.00 N ATOM 209 CA TYR A 14 104.072 -10.923 1.766 1.00 0.00 C ATOM 210 C TYR A 14 102.968 -11.574 2.596 1.00 0.00 C ATOM 211 O TYR A 14 102.358 -10.939 3.434 1.00 0.00 O ATOM 212 CB TYR A 14 103.622 -10.798 0.307 1.00 0.00 C ATOM 213 CG TYR A 14 103.001 -9.442 0.080 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.617 -8.295 0.596 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.808 -9.331 -0.644 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.039 -7.037 0.387 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.230 -8.074 -0.853 1.00 0.00 C ATOM 218 CZ TYR A 14 101.845 -6.927 -0.337 1.00 0.00 C ATOM 219 OH TYR A 14 101.273 -5.688 -0.540 1.00 0.00 O ATOM 0 H TYR A 14 106.060 -11.336 2.403 1.00 0.00 H new ATOM 0 HA TYR A 14 104.274 -9.930 2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.474 -10.935 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.903 -11.582 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.537 -8.381 1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.334 -10.216 -1.041 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.514 -6.152 0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.310 -7.989 -1.412 1.00 0.00 H new ATOM 0 HH TYR A 14 100.450 -5.789 -1.062 1.00 0.00 H new ATOM 229 N ASP A 15 102.697 -12.827 2.378 1.00 0.00 N ATOM 230 CA ASP A 15 101.625 -13.486 3.171 1.00 0.00 C ATOM 231 C ASP A 15 101.980 -13.408 4.651 1.00 0.00 C ATOM 232 O ASP A 15 101.184 -12.993 5.469 1.00 0.00 O ATOM 233 CB ASP A 15 101.489 -14.950 2.745 1.00 0.00 C ATOM 234 CG ASP A 15 100.116 -15.477 3.162 1.00 0.00 C ATOM 235 OD1 ASP A 15 99.128 -14.869 2.781 1.00 0.00 O ATOM 236 OD2 ASP A 15 100.073 -16.481 3.854 1.00 0.00 O ATOM 0 H ASP A 15 103.165 -13.420 1.692 1.00 0.00 H new ATOM 0 HA ASP A 15 100.676 -12.979 2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 15 101.612 -15.039 1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 15 102.275 -15.548 3.205 1.00 0.00 H new ATOM 241 N LYS A 16 103.173 -13.787 5.002 1.00 0.00 N ATOM 242 CA LYS A 16 103.575 -13.714 6.431 1.00 0.00 C ATOM 243 C LYS A 16 103.467 -12.262 6.887 1.00 0.00 C ATOM 244 O LYS A 16 103.135 -11.975 8.019 1.00 0.00 O ATOM 245 CB LYS A 16 105.015 -14.205 6.592 1.00 0.00 C ATOM 246 CG LYS A 16 105.190 -15.531 5.846 1.00 0.00 C ATOM 247 CD LYS A 16 106.661 -15.958 5.890 1.00 0.00 C ATOM 248 CE LYS A 16 106.908 -16.826 7.126 1.00 0.00 C ATOM 249 NZ LYS A 16 106.741 -16.001 8.356 1.00 0.00 N ATOM 0 H LYS A 16 103.885 -14.143 4.365 1.00 0.00 H new ATOM 0 HA LYS A 16 102.924 -14.345 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.710 -13.461 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.250 -14.336 7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.564 -16.300 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 16 104.863 -15.423 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 16 106.916 -16.513 4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 16 107.305 -15.079 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 16 106.211 -17.664 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 16 107.912 -17.248 7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 107.278 -16.429 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 107.094 -15.039 8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 105.734 -15.959 8.611 1.00 0.00 H new ATOM 263 N PHE A 17 103.729 -11.340 6.002 1.00 0.00 N ATOM 264 CA PHE A 17 103.626 -9.906 6.367 1.00 0.00 C ATOM 265 C PHE A 17 102.156 -9.551 6.530 1.00 0.00 C ATOM 266 O PHE A 17 101.696 -9.200 7.600 1.00 0.00 O ATOM 267 CB PHE A 17 104.226 -9.078 5.238 1.00 0.00 C ATOM 268 CG PHE A 17 104.123 -7.611 5.560 1.00 0.00 C ATOM 269 CD1 PHE A 17 105.160 -6.994 6.253 1.00 0.00 C ATOM 270 CD2 PHE A 17 103.007 -6.870 5.158 1.00 0.00 C ATOM 271 CE1 PHE A 17 105.090 -5.629 6.551 1.00 0.00 C ATOM 272 CE2 PHE A 17 102.932 -5.504 5.456 1.00 0.00 C ATOM 273 CZ PHE A 17 103.975 -4.882 6.153 1.00 0.00 C ATOM 0 H PHE A 17 104.011 -11.523 5.039 1.00 0.00 H new ATOM 0 HA PHE A 17 104.158 -9.705 7.297 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.270 -9.353 5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.705 -9.291 4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 17 106.020 -7.570 6.561 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.204 -7.351 4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.896 -5.151 7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 17 102.070 -4.930 5.148 1.00 0.00 H new ATOM 0 HZ PHE A 17 103.919 -3.828 6.383 1.00 0.00 H new ATOM 283 N MET A 18 101.420 -9.649 5.467 1.00 0.00 N ATOM 284 CA MET A 18 99.968 -9.329 5.532 1.00 0.00 C ATOM 285 C MET A 18 99.312 -10.156 6.641 1.00 0.00 C ATOM 286 O MET A 18 98.297 -9.776 7.190 1.00 0.00 O ATOM 287 CB MET A 18 99.307 -9.665 4.193 1.00 0.00 C ATOM 288 CG MET A 18 99.599 -8.558 3.179 1.00 0.00 C ATOM 289 SD MET A 18 98.427 -7.198 3.414 1.00 0.00 S ATOM 290 CE MET A 18 99.644 -5.896 3.728 1.00 0.00 C ATOM 0 H MET A 18 101.759 -9.938 4.550 1.00 0.00 H new ATOM 0 HA MET A 18 99.842 -8.267 5.744 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.681 -10.619 3.822 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.231 -9.775 4.326 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.620 -8.197 3.303 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.520 -8.949 2.165 1.00 0.00 H new ATOM 0 HE1 MET A 18 99.134 -4.998 4.076 1.00 0.00 H new ATOM 0 HE2 MET A 18 100.348 -6.232 4.490 1.00 0.00 H new ATOM 0 HE3 MET A 18 100.184 -5.673 2.808 1.00 0.00 H new ATOM 300 N GLU A 19 99.877 -11.284 6.977 1.00 0.00 N ATOM 301 CA GLU A 19 99.273 -12.123 8.050 1.00 0.00 C ATOM 302 C GLU A 19 99.610 -11.525 9.415 1.00 0.00 C ATOM 303 O GLU A 19 98.819 -11.572 10.337 1.00 0.00 O ATOM 304 CB GLU A 19 99.828 -13.545 7.963 1.00 0.00 C ATOM 305 CG GLU A 19 99.157 -14.423 9.021 1.00 0.00 C ATOM 306 CD GLU A 19 99.553 -15.884 8.798 1.00 0.00 C ATOM 307 OE1 GLU A 19 99.625 -16.613 9.774 1.00 0.00 O ATOM 308 OE2 GLU A 19 99.778 -16.249 7.656 1.00 0.00 O ATOM 0 H GLU A 19 100.727 -11.659 6.557 1.00 0.00 H new ATOM 0 HA GLU A 19 98.191 -12.150 7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.650 -13.956 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.907 -13.535 8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.457 -14.102 10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 19 98.074 -14.316 8.964 1.00 0.00 H new ATOM 315 N LYS A 20 100.777 -10.963 9.553 1.00 0.00 N ATOM 316 CA LYS A 20 101.161 -10.365 10.859 1.00 0.00 C ATOM 317 C LYS A 20 100.283 -9.149 11.143 1.00 0.00 C ATOM 318 O LYS A 20 99.847 -8.934 12.257 1.00 0.00 O ATOM 319 CB LYS A 20 102.629 -9.943 10.814 1.00 0.00 C ATOM 320 CG LYS A 20 103.515 -11.191 10.812 1.00 0.00 C ATOM 321 CD LYS A 20 103.786 -11.627 12.252 1.00 0.00 C ATOM 322 CE LYS A 20 104.670 -12.877 12.250 1.00 0.00 C ATOM 323 NZ LYS A 20 103.811 -14.090 12.142 1.00 0.00 N ATOM 0 H LYS A 20 101.481 -10.892 8.818 1.00 0.00 H new ATOM 0 HA LYS A 20 101.021 -11.101 11.651 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.820 -9.346 9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.866 -9.317 11.674 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.026 -11.996 10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 20 104.455 -10.982 10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 20 104.277 -10.823 12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.846 -11.834 12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 20 105.371 -12.839 11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.263 -12.918 13.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 104.410 -14.940 12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 103.159 -14.127 12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.264 -14.050 11.258 1.00 0.00 H new ATOM 337 N MET A 21 100.011 -8.351 10.149 1.00 0.00 N ATOM 338 CA MET A 21 99.155 -7.157 10.377 1.00 0.00 C ATOM 339 C MET A 21 97.726 -7.615 10.679 1.00 0.00 C ATOM 340 O MET A 21 96.870 -6.823 11.021 1.00 0.00 O ATOM 341 CB MET A 21 99.170 -6.271 9.131 1.00 0.00 C ATOM 342 CG MET A 21 100.391 -5.350 9.180 1.00 0.00 C ATOM 343 SD MET A 21 100.920 -4.956 7.495 1.00 0.00 S ATOM 344 CE MET A 21 99.291 -4.508 6.851 1.00 0.00 C ATOM 0 H MET A 21 100.343 -8.474 9.193 1.00 0.00 H new ATOM 0 HA MET A 21 99.536 -6.584 11.222 1.00 0.00 H new ATOM 0 HB2 MET A 21 99.201 -6.888 8.233 1.00 0.00 H new ATOM 0 HB3 MET A 21 98.256 -5.680 9.080 1.00 0.00 H new ATOM 0 HG2 MET A 21 100.147 -4.435 9.719 1.00 0.00 H new ATOM 0 HG3 MET A 21 101.203 -5.834 9.723 1.00 0.00 H new ATOM 0 HE1 MET A 21 99.406 -3.788 6.041 1.00 0.00 H new ATOM 0 HE2 MET A 21 98.790 -5.400 6.476 1.00 0.00 H new ATOM 0 HE3 MET A 21 98.694 -4.065 7.648 1.00 0.00 H new ATOM 354 N GLY A 22 97.464 -8.890 10.566 1.00 0.00 N ATOM 355 CA GLY A 22 96.093 -9.400 10.858 1.00 0.00 C ATOM 356 C GLY A 22 95.134 -8.985 9.741 1.00 0.00 C ATOM 357 O GLY A 22 93.965 -8.749 9.973 1.00 0.00 O ATOM 0 H GLY A 22 98.140 -9.600 10.284 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.111 -10.486 10.949 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.745 -9.006 11.813 1.00 0.00 H new ATOM 361 N VAL A 23 95.613 -8.895 8.532 1.00 0.00 N ATOM 362 CA VAL A 23 94.720 -8.497 7.408 1.00 0.00 C ATOM 363 C VAL A 23 93.810 -9.671 7.042 1.00 0.00 C ATOM 364 O VAL A 23 94.263 -10.780 6.839 1.00 0.00 O ATOM 365 CB VAL A 23 95.567 -8.110 6.195 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.702 -7.338 5.196 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.733 -7.228 6.645 1.00 0.00 C ATOM 0 H VAL A 23 96.582 -9.079 8.274 1.00 0.00 H new ATOM 0 HA VAL A 23 94.111 -7.645 7.711 1.00 0.00 H new ATOM 0 HB VAL A 23 95.956 -9.012 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.304 -7.061 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 23 93.871 -7.965 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.314 -6.437 5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.336 -6.953 5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.345 -6.326 7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.350 -7.776 7.358 1.00 0.00 H new ATOM 377 N ASN A 24 92.528 -9.437 6.953 1.00 0.00 N ATOM 378 CA ASN A 24 91.592 -10.542 6.598 1.00 0.00 C ATOM 379 C ASN A 24 92.199 -11.378 5.471 1.00 0.00 C ATOM 380 O ASN A 24 93.125 -10.959 4.804 1.00 0.00 O ATOM 381 CB ASN A 24 90.257 -9.951 6.138 1.00 0.00 C ATOM 382 CG ASN A 24 89.124 -10.925 6.468 1.00 0.00 C ATOM 383 OD1 ASN A 24 89.149 -12.130 5.967 1.00 0.00 O flip ATOM 384 ND2 ASN A 24 88.207 -10.587 7.189 1.00 0.00 N flip ATOM 0 H ASN A 24 92.089 -8.530 7.111 1.00 0.00 H new ATOM 0 HA ASN A 24 91.426 -11.175 7.470 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.083 -8.994 6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 24 90.283 -9.758 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 24 88.187 -9.646 7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 24 87.457 -11.245 7.403 1.00 0.00 H new ATOM 391 N ILE A 25 91.689 -12.559 5.251 1.00 0.00 N ATOM 392 CA ILE A 25 92.244 -13.418 4.166 1.00 0.00 C ATOM 393 C ILE A 25 91.670 -12.968 2.829 1.00 0.00 C ATOM 394 O ILE A 25 92.003 -13.480 1.778 1.00 0.00 O ATOM 395 CB ILE A 25 91.875 -14.879 4.436 1.00 0.00 C ATOM 396 CG1 ILE A 25 92.927 -15.510 5.356 1.00 0.00 C ATOM 397 CG2 ILE A 25 91.812 -15.654 3.117 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.144 -15.949 4.538 1.00 0.00 C ATOM 0 H ILE A 25 90.914 -12.966 5.774 1.00 0.00 H new ATOM 0 HA ILE A 25 93.330 -13.327 4.137 1.00 0.00 H new ATOM 0 HB ILE A 25 90.898 -14.919 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 25 93.231 -14.794 6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.500 -16.367 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 25 91.549 -16.693 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.058 -15.207 2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 25 92.784 -15.614 2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 25 94.886 -16.396 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 25 93.836 -16.681 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.578 -15.083 4.039 1.00 0.00 H new ATOM 410 N VAL A 26 90.820 -12.003 2.876 1.00 0.00 N ATOM 411 CA VAL A 26 90.202 -11.481 1.627 1.00 0.00 C ATOM 412 C VAL A 26 91.158 -10.488 0.972 1.00 0.00 C ATOM 413 O VAL A 26 91.599 -10.678 -0.144 1.00 0.00 O ATOM 414 CB VAL A 26 88.883 -10.781 1.961 1.00 0.00 C ATOM 415 CG1 VAL A 26 88.160 -10.408 0.665 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.001 -11.722 2.783 1.00 0.00 C ATOM 0 H VAL A 26 90.516 -11.541 3.733 1.00 0.00 H new ATOM 0 HA VAL A 26 90.006 -12.306 0.942 1.00 0.00 H new ATOM 0 HB VAL A 26 89.087 -9.878 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 26 87.220 -9.909 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 26 88.788 -9.738 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 26 87.956 -11.311 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.061 -11.224 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.797 -12.625 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.515 -11.988 3.707 1.00 0.00 H new ATOM 426 N LYS A 27 91.492 -9.438 1.662 1.00 0.00 N ATOM 427 CA LYS A 27 92.433 -8.443 1.082 1.00 0.00 C ATOM 428 C LYS A 27 93.726 -9.163 0.706 1.00 0.00 C ATOM 429 O LYS A 27 94.333 -8.887 -0.310 1.00 0.00 O ATOM 430 CB LYS A 27 92.733 -7.354 2.115 1.00 0.00 C ATOM 431 CG LYS A 27 91.457 -6.558 2.405 1.00 0.00 C ATOM 432 CD LYS A 27 91.826 -5.143 2.858 1.00 0.00 C ATOM 433 CE LYS A 27 91.905 -4.218 1.642 1.00 0.00 C ATOM 434 NZ LYS A 27 92.505 -4.955 0.494 1.00 0.00 N ATOM 0 H LYS A 27 91.156 -9.225 2.601 1.00 0.00 H new ATOM 0 HA LYS A 27 91.991 -7.980 0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 27 93.110 -7.803 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.512 -6.689 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 27 90.833 -6.514 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.873 -7.057 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.083 -4.771 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 27 92.783 -5.156 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 27 90.909 -3.861 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 27 92.506 -3.340 1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 92.496 -4.348 -0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.485 -5.216 0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 91.952 -5.816 0.307 1.00 0.00 H new ATOM 448 N ARG A 28 94.141 -10.096 1.518 1.00 0.00 N ATOM 449 CA ARG A 28 95.387 -10.854 1.217 1.00 0.00 C ATOM 450 C ARG A 28 95.209 -11.598 -0.107 1.00 0.00 C ATOM 451 O ARG A 28 96.015 -11.481 -1.009 1.00 0.00 O ATOM 452 CB ARG A 28 95.653 -11.852 2.352 1.00 0.00 C ATOM 453 CG ARG A 28 96.552 -12.994 1.864 1.00 0.00 C ATOM 454 CD ARG A 28 97.869 -12.428 1.329 1.00 0.00 C ATOM 455 NE ARG A 28 98.734 -13.549 0.861 1.00 0.00 N ATOM 456 CZ ARG A 28 99.782 -13.302 0.124 1.00 0.00 C ATOM 457 NH1 ARG A 28 100.534 -14.285 -0.290 1.00 0.00 N ATOM 458 NH2 ARG A 28 100.078 -12.073 -0.198 1.00 0.00 N ATOM 0 H ARG A 28 93.668 -10.367 2.380 1.00 0.00 H new ATOM 0 HA ARG A 28 96.234 -10.172 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 28 96.127 -11.341 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 28 94.709 -12.256 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 28 96.750 -13.688 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 28 96.045 -13.559 1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 28 97.674 -11.737 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 28 98.378 -11.862 2.109 1.00 0.00 H new ATOM 0 HE ARG A 28 98.506 -14.510 1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 28 100.302 -15.246 -0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 28 101.353 -14.093 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 28 99.490 -11.305 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 28 100.897 -11.880 -0.774 1.00 0.00 H new ATOM 472 N LYS A 29 94.156 -12.361 -0.236 1.00 0.00 N ATOM 473 CA LYS A 29 93.934 -13.105 -1.507 1.00 0.00 C ATOM 474 C LYS A 29 94.075 -12.144 -2.687 1.00 0.00 C ATOM 475 O LYS A 29 94.607 -12.489 -3.724 1.00 0.00 O ATOM 476 CB LYS A 29 92.529 -13.714 -1.503 1.00 0.00 C ATOM 477 CG LYS A 29 92.529 -15.012 -2.312 1.00 0.00 C ATOM 478 CD LYS A 29 92.908 -14.711 -3.765 1.00 0.00 C ATOM 479 CE LYS A 29 92.334 -15.796 -4.678 1.00 0.00 C ATOM 480 NZ LYS A 29 93.169 -15.902 -5.909 1.00 0.00 N ATOM 0 H LYS A 29 93.444 -12.500 0.481 1.00 0.00 H new ATOM 0 HA LYS A 29 94.672 -13.902 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 29 92.211 -13.912 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 29 91.815 -13.009 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 29 93.235 -15.721 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 29 91.544 -15.478 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 29 92.523 -13.734 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 29 93.992 -14.670 -3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.314 -16.753 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 29 91.304 -15.556 -4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.779 -16.639 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 93.166 -14.990 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 94.144 -16.150 -5.647 1.00 0.00 H new ATOM 494 N LEU A 30 93.600 -10.939 -2.538 1.00 0.00 N ATOM 495 CA LEU A 30 93.701 -9.952 -3.648 1.00 0.00 C ATOM 496 C LEU A 30 95.038 -9.232 -3.577 1.00 0.00 C ATOM 497 O LEU A 30 95.451 -8.551 -4.495 1.00 0.00 O ATOM 498 CB LEU A 30 92.557 -8.940 -3.553 1.00 0.00 C ATOM 499 CG LEU A 30 91.229 -9.684 -3.404 1.00 0.00 C ATOM 500 CD1 LEU A 30 90.079 -8.677 -3.385 1.00 0.00 C ATOM 501 CD2 LEU A 30 91.048 -10.641 -4.584 1.00 0.00 C ATOM 0 H LEU A 30 93.145 -10.595 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 30 93.630 -10.478 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.713 -8.278 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.537 -8.313 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 30 91.232 -10.250 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 30 89.133 -9.207 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 30 90.208 -7.993 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 30 90.075 -8.111 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 30 90.102 -11.172 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 30 91.045 -10.074 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 30 91.868 -11.359 -4.599 1.00 0.00 H new ATOM 513 N ALA A 31 95.704 -9.382 -2.487 1.00 0.00 N ATOM 514 CA ALA A 31 97.026 -8.716 -2.308 1.00 0.00 C ATOM 515 C ALA A 31 98.104 -9.502 -3.057 1.00 0.00 C ATOM 516 O ALA A 31 98.889 -8.944 -3.796 1.00 0.00 O ATOM 517 CB ALA A 31 97.378 -8.664 -0.820 1.00 0.00 C ATOM 0 H ALA A 31 95.395 -9.943 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 31 96.973 -7.702 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.345 -8.177 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.614 -8.101 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.427 -9.678 -0.422 1.00 0.00 H new ATOM 523 N ALA A 32 98.149 -10.793 -2.867 1.00 0.00 N ATOM 524 CA ALA A 32 99.179 -11.613 -3.565 1.00 0.00 C ATOM 525 C ALA A 32 99.326 -11.127 -5.008 1.00 0.00 C ATOM 526 O ALA A 32 100.332 -11.356 -5.650 1.00 0.00 O ATOM 527 CB ALA A 32 98.750 -13.081 -3.560 1.00 0.00 C ATOM 0 H ALA A 32 97.517 -11.314 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 32 100.135 -11.513 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 32 99.503 -13.682 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 32 98.646 -13.426 -2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 32 97.795 -13.183 -4.075 1.00 0.00 H new ATOM 533 N HIS A 33 98.332 -10.457 -5.524 1.00 0.00 N ATOM 534 CA HIS A 33 98.419 -9.957 -6.924 1.00 0.00 C ATOM 535 C HIS A 33 99.376 -8.765 -6.978 1.00 0.00 C ATOM 536 O HIS A 33 99.179 -7.833 -7.732 1.00 0.00 O ATOM 537 CB HIS A 33 97.032 -9.520 -7.398 1.00 0.00 C ATOM 538 CG HIS A 33 97.109 -9.068 -8.830 1.00 0.00 C ATOM 539 ND1 HIS A 33 96.918 -7.743 -9.201 1.00 0.00 N ATOM 540 CD2 HIS A 33 97.356 -9.752 -9.996 1.00 0.00 C ATOM 541 CE1 HIS A 33 97.052 -7.674 -10.538 1.00 0.00 C ATOM 542 NE2 HIS A 33 97.318 -8.868 -11.068 1.00 0.00 N ATOM 0 H HIS A 33 97.464 -10.235 -5.036 1.00 0.00 H new ATOM 0 HA HIS A 33 98.789 -10.751 -7.572 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.327 -10.346 -7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 33 96.660 -8.711 -6.770 1.00 0.00 H new ATOM 0 HD2 HIS A 33 97.550 -10.812 -10.068 1.00 0.00 H new ATOM 0 HE1 HIS A 33 96.956 -6.764 -11.111 1.00 0.00 H new ATOM 0 HE2 HIS A 33 97.463 -9.087 -12.054 1.00 0.00 H new ATOM 550 N ASP A 34 100.409 -8.788 -6.182 1.00 0.00 N ATOM 551 CA ASP A 34 101.380 -7.657 -6.183 1.00 0.00 C ATOM 552 C ASP A 34 101.693 -7.254 -7.627 1.00 0.00 C ATOM 553 O ASP A 34 102.618 -7.755 -8.234 1.00 0.00 O ATOM 554 CB ASP A 34 102.670 -8.092 -5.482 1.00 0.00 C ATOM 555 CG ASP A 34 102.335 -9.094 -4.375 1.00 0.00 C ATOM 556 OD1 ASP A 34 103.008 -10.107 -4.298 1.00 0.00 O ATOM 557 OD2 ASP A 34 101.411 -8.829 -3.624 1.00 0.00 O ATOM 0 H ASP A 34 100.623 -9.542 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 34 100.949 -6.807 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 34 103.353 -8.543 -6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 34 103.178 -7.225 -5.061 1.00 0.00 H new ATOM 562 N ASN A 35 100.925 -6.356 -8.180 1.00 0.00 N ATOM 563 CA ASN A 35 101.173 -5.922 -9.582 1.00 0.00 C ATOM 564 C ASN A 35 100.774 -4.452 -9.737 1.00 0.00 C ATOM 565 O ASN A 35 100.149 -4.070 -10.707 1.00 0.00 O ATOM 566 CB ASN A 35 100.340 -6.780 -10.535 1.00 0.00 C ATOM 567 CG ASN A 35 100.926 -6.693 -11.946 1.00 0.00 C ATOM 568 OD1 ASN A 35 100.492 -5.890 -12.748 1.00 0.00 O ATOM 569 ND2 ASN A 35 101.900 -7.492 -12.284 1.00 0.00 N ATOM 0 H ASN A 35 100.135 -5.904 -7.720 1.00 0.00 H new ATOM 0 HA ASN A 35 102.231 -6.039 -9.819 1.00 0.00 H new ATOM 0 HB2 ASN A 35 100.333 -7.816 -10.196 1.00 0.00 H new ATOM 0 HB3 ASN A 35 99.305 -6.438 -10.538 1.00 0.00 H new ATOM 0 HD21 ASN A 35 102.298 -7.443 -13.222 1.00 0.00 H new ATOM 0 HD22 ASN A 35 102.264 -8.166 -11.610 1.00 0.00 H new ATOM 576 N LEU A 36 101.113 -3.623 -8.786 1.00 0.00 N ATOM 577 CA LEU A 36 100.731 -2.187 -8.885 1.00 0.00 C ATOM 578 C LEU A 36 101.880 -1.364 -9.476 1.00 0.00 C ATOM 579 O LEU A 36 103.004 -1.824 -9.591 1.00 0.00 O ATOM 580 CB LEU A 36 100.375 -1.649 -7.493 1.00 0.00 C ATOM 581 CG LEU A 36 101.629 -1.582 -6.611 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.549 -0.355 -5.699 1.00 0.00 C ATOM 583 CD2 LEU A 36 101.719 -2.846 -5.751 1.00 0.00 C ATOM 0 H LEU A 36 101.636 -3.878 -7.948 1.00 0.00 H new ATOM 0 HA LEU A 36 99.866 -2.102 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 36 99.931 -0.657 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.628 -2.292 -7.027 1.00 0.00 H new ATOM 0 HG LEU A 36 102.512 -1.508 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.440 -0.308 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.485 0.547 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.665 -0.429 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.610 -2.797 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 36 100.834 -2.919 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 36 101.777 -3.722 -6.397 1.00 0.00 H new ATOM 595 N LYS A 37 101.596 -0.142 -9.843 1.00 0.00 N ATOM 596 CA LYS A 37 102.646 0.741 -10.425 1.00 0.00 C ATOM 597 C LYS A 37 103.015 1.821 -9.405 1.00 0.00 C ATOM 598 O LYS A 37 102.171 2.326 -8.693 1.00 0.00 O ATOM 599 CB LYS A 37 102.103 1.399 -11.701 1.00 0.00 C ATOM 600 CG LYS A 37 102.882 0.892 -12.917 1.00 0.00 C ATOM 601 CD LYS A 37 102.287 1.493 -14.192 1.00 0.00 C ATOM 602 CE LYS A 37 102.781 0.705 -15.406 1.00 0.00 C ATOM 603 NZ LYS A 37 104.250 0.485 -15.291 1.00 0.00 N ATOM 0 H LYS A 37 100.673 0.285 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 37 103.531 0.154 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.043 1.172 -11.816 1.00 0.00 H new ATOM 0 HB3 LYS A 37 102.190 2.483 -11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 37 103.933 1.167 -12.829 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.840 -0.196 -12.961 1.00 0.00 H new ATOM 0 HD2 LYS A 37 101.198 1.466 -14.146 1.00 0.00 H new ATOM 0 HD3 LYS A 37 102.576 2.540 -14.282 1.00 0.00 H new ATOM 0 HE2 LYS A 37 102.263 -0.252 -15.467 1.00 0.00 H new ATOM 0 HE3 LYS A 37 102.555 1.249 -16.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 104.581 -0.080 -16.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 104.739 1.403 -15.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 104.457 -0.022 -14.407 1.00 0.00 H new ATOM 617 N LEU A 38 104.267 2.180 -9.329 1.00 0.00 N ATOM 618 CA LEU A 38 104.682 3.226 -8.353 1.00 0.00 C ATOM 619 C LEU A 38 105.669 4.188 -9.018 1.00 0.00 C ATOM 620 O LEU A 38 106.655 3.780 -9.600 1.00 0.00 O ATOM 621 CB LEU A 38 105.357 2.569 -7.145 1.00 0.00 C ATOM 622 CG LEU A 38 104.539 1.355 -6.687 1.00 0.00 C ATOM 623 CD1 LEU A 38 105.052 0.092 -7.384 1.00 0.00 C ATOM 624 CD2 LEU A 38 104.677 1.188 -5.169 1.00 0.00 C ATOM 0 H LEU A 38 105.019 1.795 -9.900 1.00 0.00 H new ATOM 0 HA LEU A 38 103.800 3.775 -8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.369 2.259 -7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.444 3.288 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 38 103.491 1.511 -6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.468 -0.768 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 38 104.953 0.207 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.101 -0.063 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.096 0.325 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 38 105.726 1.036 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.308 2.084 -4.669 1.00 0.00 H new ATOM 636 N THR A 39 105.416 5.465 -8.923 1.00 0.00 N ATOM 637 CA THR A 39 106.344 6.458 -9.535 1.00 0.00 C ATOM 638 C THR A 39 107.197 7.076 -8.426 1.00 0.00 C ATOM 639 O THR A 39 106.684 7.679 -7.506 1.00 0.00 O ATOM 640 CB THR A 39 105.535 7.555 -10.233 1.00 0.00 C ATOM 641 OG1 THR A 39 104.362 6.987 -10.799 1.00 0.00 O ATOM 642 CG2 THR A 39 106.380 8.191 -11.338 1.00 0.00 C ATOM 0 H THR A 39 104.606 5.864 -8.448 1.00 0.00 H new ATOM 0 HA THR A 39 106.984 5.968 -10.269 1.00 0.00 H new ATOM 0 HB THR A 39 105.257 8.319 -9.507 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.842 7.688 -11.245 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.803 8.971 -11.834 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.280 8.626 -10.903 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.660 7.429 -12.066 1.00 0.00 H new ATOM 650 N ILE A 40 108.491 6.919 -8.490 1.00 0.00 N ATOM 651 CA ILE A 40 109.357 7.488 -7.416 1.00 0.00 C ATOM 652 C ILE A 40 110.133 8.700 -7.934 1.00 0.00 C ATOM 653 O ILE A 40 110.920 8.602 -8.854 1.00 0.00 O ATOM 654 CB ILE A 40 110.345 6.422 -6.942 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.569 5.236 -6.363 1.00 0.00 C ATOM 656 CG2 ILE A 40 111.249 7.015 -5.860 1.00 0.00 C ATOM 657 CD1 ILE A 40 109.055 4.341 -7.495 1.00 0.00 C ATOM 0 H ILE A 40 108.984 6.425 -9.234 1.00 0.00 H new ATOM 0 HA ILE A 40 108.723 7.805 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 40 110.954 6.086 -7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.212 4.661 -5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.732 5.596 -5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.955 6.257 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.797 7.864 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.640 7.347 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.504 3.500 -7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.396 4.918 -8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.899 3.967 -8.075 1.00 0.00 H new ATOM 669 N THR A 41 109.927 9.841 -7.330 1.00 0.00 N ATOM 670 CA THR A 41 110.656 11.062 -7.754 1.00 0.00 C ATOM 671 C THR A 41 111.506 11.552 -6.580 1.00 0.00 C ATOM 672 O THR A 41 111.176 11.323 -5.433 1.00 0.00 O ATOM 673 CB THR A 41 109.656 12.150 -8.153 1.00 0.00 C ATOM 674 OG1 THR A 41 108.497 11.544 -8.708 1.00 0.00 O ATOM 675 CG2 THR A 41 110.293 13.079 -9.188 1.00 0.00 C ATOM 0 H THR A 41 109.278 9.975 -6.555 1.00 0.00 H new ATOM 0 HA THR A 41 111.292 10.837 -8.610 1.00 0.00 H new ATOM 0 HB THR A 41 109.379 12.729 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A 41 107.855 12.239 -8.963 1.00 0.00 H new ATOM 0 HG21 THR A 41 109.579 13.853 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.182 13.544 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.572 12.503 -10.070 1.00 0.00 H new ATOM 683 N GLN A 42 112.598 12.211 -6.849 1.00 0.00 N ATOM 684 CA GLN A 42 113.463 12.699 -5.734 1.00 0.00 C ATOM 685 C GLN A 42 113.719 14.199 -5.896 1.00 0.00 C ATOM 686 O GLN A 42 113.837 14.703 -6.994 1.00 0.00 O ATOM 687 CB GLN A 42 114.796 11.951 -5.763 1.00 0.00 C ATOM 688 CG GLN A 42 115.604 12.394 -6.986 1.00 0.00 C ATOM 689 CD GLN A 42 116.724 11.387 -7.250 1.00 0.00 C ATOM 690 OE1 GLN A 42 116.873 10.903 -8.356 1.00 0.00 O ATOM 691 NE2 GLN A 42 117.524 11.047 -6.277 1.00 0.00 N ATOM 0 H GLN A 42 112.930 12.433 -7.788 1.00 0.00 H new ATOM 0 HA GLN A 42 112.961 12.520 -4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 42 115.358 12.152 -4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 42 114.621 10.876 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 42 114.954 12.467 -7.858 1.00 0.00 H new ATOM 0 HG3 GLN A 42 116.024 13.386 -6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.400 11.452 -5.349 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.274 10.376 -6.444 1.00 0.00 H new ATOM 700 N GLU A 43 113.815 14.917 -4.807 1.00 0.00 N ATOM 701 CA GLU A 43 114.073 16.381 -4.904 1.00 0.00 C ATOM 702 C GLU A 43 115.043 16.803 -3.799 1.00 0.00 C ATOM 703 O GLU A 43 114.650 17.350 -2.787 1.00 0.00 O ATOM 704 CB GLU A 43 112.758 17.147 -4.749 1.00 0.00 C ATOM 705 CG GLU A 43 111.662 16.453 -5.562 1.00 0.00 C ATOM 706 CD GLU A 43 110.540 17.448 -5.860 1.00 0.00 C ATOM 707 OE1 GLU A 43 109.904 17.302 -6.892 1.00 0.00 O ATOM 708 OE2 GLU A 43 110.335 18.341 -5.054 1.00 0.00 O ATOM 0 H GLU A 43 113.726 14.553 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 43 114.509 16.607 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.473 17.191 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 43 112.882 18.175 -5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 43 112.075 16.065 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 43 111.269 15.600 -5.009 1.00 0.00 H new ATOM 715 N GLY A 44 116.310 16.560 -3.990 1.00 0.00 N ATOM 716 CA GLY A 44 117.315 16.952 -2.962 1.00 0.00 C ATOM 717 C GLY A 44 116.965 16.330 -1.607 1.00 0.00 C ATOM 718 O GLY A 44 117.494 15.302 -1.230 1.00 0.00 O ATOM 0 H GLY A 44 116.694 16.105 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.308 16.627 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 44 117.349 18.038 -2.873 1.00 0.00 H new ATOM 722 N ASN A 45 116.092 16.956 -0.863 1.00 0.00 N ATOM 723 CA ASN A 45 115.721 16.417 0.479 1.00 0.00 C ATOM 724 C ASN A 45 114.207 16.230 0.571 1.00 0.00 C ATOM 725 O ASN A 45 113.626 16.304 1.636 1.00 0.00 O ATOM 726 CB ASN A 45 116.182 17.391 1.566 1.00 0.00 C ATOM 727 CG ASN A 45 117.599 17.873 1.252 1.00 0.00 C ATOM 728 OD1 ASN A 45 118.506 17.079 1.108 1.00 0.00 O ATOM 729 ND2 ASN A 45 117.828 19.154 1.140 1.00 0.00 N ATOM 0 H ASN A 45 115.618 17.820 -1.127 1.00 0.00 H new ATOM 0 HA ASN A 45 116.207 15.452 0.621 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.501 18.241 1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 45 116.160 16.902 2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 45 118.769 19.488 0.931 1.00 0.00 H new ATOM 0 HD22 ASN A 45 117.066 19.821 1.261 1.00 0.00 H new ATOM 736 N LYS A 46 113.563 15.984 -0.532 1.00 0.00 N ATOM 737 CA LYS A 46 112.106 15.788 -0.516 1.00 0.00 C ATOM 738 C LYS A 46 111.751 14.852 -1.666 1.00 0.00 C ATOM 739 O LYS A 46 111.839 15.198 -2.825 1.00 0.00 O ATOM 740 CB LYS A 46 111.423 17.145 -0.705 1.00 0.00 C ATOM 741 CG LYS A 46 109.960 16.953 -1.122 1.00 0.00 C ATOM 742 CD LYS A 46 109.739 17.541 -2.521 1.00 0.00 C ATOM 743 CE LYS A 46 108.238 17.684 -2.788 1.00 0.00 C ATOM 744 NZ LYS A 46 107.677 16.365 -3.191 1.00 0.00 N ATOM 0 H LYS A 46 113.997 15.911 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 46 111.774 15.357 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 46 111.472 17.716 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 46 111.951 17.723 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 46 109.707 15.893 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 46 109.300 17.440 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 46 110.226 18.513 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 46 110.192 16.896 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 46 107.732 18.048 -1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 46 108.066 18.420 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 106.769 16.212 -2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 107.529 16.351 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 108.341 15.610 -2.927 1.00 0.00 H new ATOM 758 N PHE A 47 111.361 13.666 -1.338 1.00 0.00 N ATOM 759 CA PHE A 47 111.000 12.671 -2.385 1.00 0.00 C ATOM 760 C PHE A 47 109.490 12.692 -2.618 1.00 0.00 C ATOM 761 O PHE A 47 108.751 13.355 -1.917 1.00 0.00 O ATOM 762 CB PHE A 47 111.432 11.276 -1.934 1.00 0.00 C ATOM 763 CG PHE A 47 112.899 11.080 -2.233 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.855 11.887 -1.605 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.304 10.092 -3.139 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.215 11.707 -1.881 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.665 9.912 -3.416 1.00 0.00 C ATOM 768 CZ PHE A 47 115.620 10.718 -2.787 1.00 0.00 C ATOM 0 H PHE A 47 111.273 13.331 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 47 111.509 12.925 -3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.249 11.155 -0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.841 10.517 -2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.543 12.649 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.567 9.469 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 47 115.952 12.330 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 47 114.977 9.151 -4.115 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.670 10.578 -3.000 1.00 0.00 H new ATOM 778 N THR A 48 109.026 11.967 -3.598 1.00 0.00 N ATOM 779 CA THR A 48 107.573 11.938 -3.883 1.00 0.00 C ATOM 780 C THR A 48 107.232 10.613 -4.555 1.00 0.00 C ATOM 781 O THR A 48 107.496 10.405 -5.724 1.00 0.00 O ATOM 782 CB THR A 48 107.221 13.087 -4.825 1.00 0.00 C ATOM 783 OG1 THR A 48 107.674 14.311 -4.267 1.00 0.00 O ATOM 784 CG2 THR A 48 105.705 13.142 -5.024 1.00 0.00 C ATOM 0 H THR A 48 109.599 11.391 -4.215 1.00 0.00 H new ATOM 0 HA THR A 48 107.009 12.042 -2.956 1.00 0.00 H new ATOM 0 HB THR A 48 107.704 12.927 -5.789 1.00 0.00 H new ATOM 0 HG1 THR A 48 108.590 14.488 -4.567 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.456 13.963 -5.697 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.360 12.202 -5.455 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.217 13.300 -4.062 1.00 0.00 H new ATOM 792 N VAL A 49 106.647 9.718 -3.823 1.00 0.00 N ATOM 793 CA VAL A 49 106.280 8.398 -4.400 1.00 0.00 C ATOM 794 C VAL A 49 104.796 8.399 -4.769 1.00 0.00 C ATOM 795 O VAL A 49 103.935 8.512 -3.918 1.00 0.00 O ATOM 796 CB VAL A 49 106.550 7.297 -3.374 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.300 5.930 -4.011 1.00 0.00 C ATOM 798 CG2 VAL A 49 108.005 7.383 -2.907 1.00 0.00 C ATOM 0 H VAL A 49 106.404 9.842 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 49 106.877 8.214 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 49 105.884 7.426 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.493 5.146 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.264 5.868 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 49 106.964 5.800 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.199 6.599 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.670 7.255 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.184 8.357 -2.451 1.00 0.00 H new ATOM 808 N LYS A 50 104.489 8.276 -6.031 1.00 0.00 N ATOM 809 CA LYS A 50 103.061 8.271 -6.452 1.00 0.00 C ATOM 810 C LYS A 50 102.613 6.834 -6.722 1.00 0.00 C ATOM 811 O LYS A 50 102.884 6.275 -7.766 1.00 0.00 O ATOM 812 CB LYS A 50 102.903 9.102 -7.727 1.00 0.00 C ATOM 813 CG LYS A 50 103.839 10.311 -7.670 1.00 0.00 C ATOM 814 CD LYS A 50 103.285 11.430 -8.554 1.00 0.00 C ATOM 815 CE LYS A 50 104.214 12.643 -8.483 1.00 0.00 C ATOM 816 NZ LYS A 50 103.468 13.865 -8.899 1.00 0.00 N ATOM 0 H LYS A 50 105.166 8.179 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 50 102.447 8.700 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.132 8.493 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 50 101.870 9.434 -7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 50 103.936 10.660 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 50 104.836 10.028 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 50 103.198 11.085 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.283 11.706 -8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 50 104.595 12.764 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 50 105.077 12.492 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 104.099 14.690 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 103.125 13.747 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 102.658 14.011 -8.263 1.00 0.00 H new ATOM 830 N GLU A 51 101.925 6.233 -5.791 1.00 0.00 N ATOM 831 CA GLU A 51 101.454 4.835 -6.000 1.00 0.00 C ATOM 832 C GLU A 51 100.374 4.834 -7.080 1.00 0.00 C ATOM 833 O GLU A 51 99.743 5.841 -7.335 1.00 0.00 O ATOM 834 CB GLU A 51 100.869 4.291 -4.693 1.00 0.00 C ATOM 835 CG GLU A 51 102.004 3.824 -3.772 1.00 0.00 C ATOM 836 CD GLU A 51 101.711 4.260 -2.334 1.00 0.00 C ATOM 837 OE1 GLU A 51 102.192 5.312 -1.945 1.00 0.00 O ATOM 838 OE2 GLU A 51 101.013 3.534 -1.646 1.00 0.00 O ATOM 0 H GLU A 51 101.669 6.649 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 51 102.289 4.206 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.281 5.063 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.194 3.461 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 51 102.103 2.740 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 51 102.953 4.246 -4.104 1.00 0.00 H new ATOM 845 N SER A 52 100.142 3.716 -7.712 1.00 0.00 N ATOM 846 CA SER A 52 99.099 3.664 -8.759 1.00 0.00 C ATOM 847 C SER A 52 98.687 2.217 -8.979 1.00 0.00 C ATOM 848 O SER A 52 99.400 1.425 -9.561 1.00 0.00 O ATOM 849 CB SER A 52 99.652 4.244 -10.061 1.00 0.00 C ATOM 850 OG SER A 52 100.444 5.387 -9.768 1.00 0.00 O ATOM 0 H SER A 52 100.634 2.838 -7.544 1.00 0.00 H new ATOM 0 HA SER A 52 98.234 4.248 -8.446 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.251 3.496 -10.580 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.834 4.516 -10.728 1.00 0.00 H new ATOM 0 HG SER A 52 100.061 5.863 -9.002 1.00 0.00 H new ATOM 856 N SER A 53 97.524 1.885 -8.523 1.00 0.00 N ATOM 857 CA SER A 53 97.006 0.506 -8.689 1.00 0.00 C ATOM 858 C SER A 53 95.520 0.586 -9.038 1.00 0.00 C ATOM 859 O SER A 53 94.808 1.447 -8.560 1.00 0.00 O ATOM 860 CB SER A 53 97.189 -0.271 -7.383 1.00 0.00 C ATOM 861 OG SER A 53 97.520 -1.621 -7.683 1.00 0.00 O ATOM 0 H SER A 53 96.896 2.521 -8.032 1.00 0.00 H new ATOM 0 HA SER A 53 97.549 -0.006 -9.484 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.977 0.184 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 53 96.274 -0.231 -6.791 1.00 0.00 H new ATOM 0 HG SER A 53 97.483 -2.157 -6.863 1.00 0.00 H new ATOM 867 N ALA A 54 95.042 -0.299 -9.864 1.00 0.00 N ATOM 868 CA ALA A 54 93.600 -0.261 -10.233 1.00 0.00 C ATOM 869 C ALA A 54 92.749 -0.329 -8.963 1.00 0.00 C ATOM 870 O ALA A 54 91.543 -0.466 -9.022 1.00 0.00 O ATOM 871 CB ALA A 54 93.272 -1.455 -11.132 1.00 0.00 C ATOM 0 H ALA A 54 95.584 -1.045 -10.299 1.00 0.00 H new ATOM 0 HA ALA A 54 93.384 0.665 -10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.216 -1.428 -11.402 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.879 -1.408 -12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.486 -2.381 -10.599 1.00 0.00 H new ATOM 877 N PHE A 55 93.366 -0.251 -7.812 1.00 0.00 N ATOM 878 CA PHE A 55 92.594 -0.331 -6.545 1.00 0.00 C ATOM 879 C PHE A 55 92.516 1.038 -5.860 1.00 0.00 C ATOM 880 O PHE A 55 91.602 1.296 -5.106 1.00 0.00 O ATOM 881 CB PHE A 55 93.272 -1.327 -5.602 1.00 0.00 C ATOM 882 CG PHE A 55 92.300 -1.741 -4.523 1.00 0.00 C ATOM 883 CD1 PHE A 55 92.316 -1.094 -3.281 1.00 0.00 C ATOM 884 CD2 PHE A 55 91.382 -2.770 -4.765 1.00 0.00 C ATOM 885 CE1 PHE A 55 91.415 -1.478 -2.281 1.00 0.00 C ATOM 886 CE2 PHE A 55 90.480 -3.154 -3.764 1.00 0.00 C ATOM 887 CZ PHE A 55 90.497 -2.508 -2.523 1.00 0.00 C ATOM 0 H PHE A 55 94.373 -0.135 -7.699 1.00 0.00 H new ATOM 0 HA PHE A 55 91.581 -0.660 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 55 93.607 -2.202 -6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.158 -0.876 -5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 55 93.023 -0.299 -3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.369 -3.268 -5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 55 91.428 -0.980 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 55 89.772 -3.948 -3.950 1.00 0.00 H new ATOM 0 HZ PHE A 55 89.802 -2.804 -1.751 1.00 0.00 H new ATOM 897 N ARG A 56 93.459 1.919 -6.103 1.00 0.00 N ATOM 898 CA ARG A 56 93.415 3.256 -5.446 1.00 0.00 C ATOM 899 C ARG A 56 94.811 3.876 -5.481 1.00 0.00 C ATOM 900 O ARG A 56 95.607 3.698 -4.580 1.00 0.00 O ATOM 901 CB ARG A 56 92.962 3.117 -3.984 1.00 0.00 C ATOM 902 CG ARG A 56 91.507 3.577 -3.847 1.00 0.00 C ATOM 903 CD ARG A 56 91.469 5.088 -3.614 1.00 0.00 C ATOM 904 NE ARG A 56 90.203 5.645 -4.169 1.00 0.00 N ATOM 905 CZ ARG A 56 89.076 5.455 -3.538 1.00 0.00 C ATOM 906 NH1 ARG A 56 87.967 5.940 -4.025 1.00 0.00 N ATOM 907 NH2 ARG A 56 89.060 4.779 -2.422 1.00 0.00 N ATOM 0 H ARG A 56 94.252 1.767 -6.726 1.00 0.00 H new ATOM 0 HA ARG A 56 92.707 3.891 -5.978 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.058 2.080 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 56 93.604 3.713 -3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 56 90.948 3.323 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.027 3.058 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 56 91.537 5.304 -2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 56 92.327 5.562 -4.091 1.00 0.00 H new ATOM 0 HE ARG A 56 90.217 6.174 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 56 87.981 6.467 -4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 56 87.086 5.792 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 56 89.928 4.399 -2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 56 88.180 4.630 -1.928 1.00 0.00 H new ATOM 921 N ASN A 57 95.109 4.603 -6.514 1.00 0.00 N ATOM 922 CA ASN A 57 96.453 5.241 -6.616 1.00 0.00 C ATOM 923 C ASN A 57 96.636 6.222 -5.457 1.00 0.00 C ATOM 924 O ASN A 57 95.688 6.808 -4.971 1.00 0.00 O ATOM 925 CB ASN A 57 96.557 5.999 -7.942 1.00 0.00 C ATOM 926 CG ASN A 57 95.594 7.188 -7.926 1.00 0.00 C ATOM 927 OD1 ASN A 57 95.921 8.268 -7.273 1.00 0.00 O flip ATOM 928 ND2 ASN A 57 94.532 7.131 -8.514 1.00 0.00 N flip ATOM 0 H ASN A 57 94.481 4.786 -7.297 1.00 0.00 H new ATOM 0 HA ASN A 57 97.226 4.474 -6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.579 6.347 -8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.318 5.335 -8.773 1.00 0.00 H new ATOM 0 HD21 ASN A 57 94.277 6.286 -9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 57 93.896 7.928 -8.497 1.00 0.00 H new ATOM 935 N ILE A 58 97.848 6.397 -4.998 1.00 0.00 N ATOM 936 CA ILE A 58 98.087 7.326 -3.860 1.00 0.00 C ATOM 937 C ILE A 58 99.313 8.191 -4.130 1.00 0.00 C ATOM 938 O ILE A 58 100.027 8.013 -5.097 1.00 0.00 O ATOM 939 CB ILE A 58 98.332 6.535 -2.582 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.501 5.255 -2.596 1.00 0.00 C ATOM 941 CG2 ILE A 58 97.937 7.383 -1.367 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.452 4.691 -1.179 1.00 0.00 C ATOM 0 H ILE A 58 98.681 5.936 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 58 97.206 7.957 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 58 99.390 6.278 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.493 5.462 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.940 4.527 -3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.113 6.815 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.536 8.294 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 58 96.881 7.644 -1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.861 3.775 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.464 4.472 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 58 96.995 5.422 -0.512 1.00 0.00 H new ATOM 954 N GLU A 59 99.555 9.126 -3.261 1.00 0.00 N ATOM 955 CA GLU A 59 100.729 10.027 -3.416 1.00 0.00 C ATOM 956 C GLU A 59 101.205 10.448 -2.024 1.00 0.00 C ATOM 957 O GLU A 59 100.436 10.919 -1.210 1.00 0.00 O ATOM 958 CB GLU A 59 100.319 11.257 -4.244 1.00 0.00 C ATOM 959 CG GLU A 59 100.738 12.547 -3.533 1.00 0.00 C ATOM 960 CD GLU A 59 100.493 13.741 -4.457 1.00 0.00 C ATOM 961 OE1 GLU A 59 100.361 14.843 -3.947 1.00 0.00 O ATOM 962 OE2 GLU A 59 100.441 13.535 -5.658 1.00 0.00 O ATOM 0 H GLU A 59 98.982 9.308 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 59 101.540 9.516 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 59 100.783 11.211 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.240 11.255 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 59 100.172 12.666 -2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 59 101.791 12.497 -3.257 1.00 0.00 H new ATOM 969 N CYS A 60 102.465 10.269 -1.738 1.00 0.00 N ATOM 970 CA CYS A 60 102.976 10.649 -0.391 1.00 0.00 C ATOM 971 C CYS A 60 104.403 11.190 -0.506 1.00 0.00 C ATOM 972 O CYS A 60 105.258 10.595 -1.137 1.00 0.00 O ATOM 973 CB CYS A 60 102.966 9.417 0.518 1.00 0.00 C ATOM 974 SG CYS A 60 102.510 9.909 2.199 1.00 0.00 S ATOM 0 H CYS A 60 103.160 9.878 -2.375 1.00 0.00 H new ATOM 0 HA CYS A 60 102.336 11.424 0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 60 102.259 8.679 0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 60 103.949 8.946 0.520 1.00 0.00 H new ATOM 980 N VAL A 61 104.669 12.310 0.109 1.00 0.00 N ATOM 981 CA VAL A 61 106.038 12.887 0.052 1.00 0.00 C ATOM 982 C VAL A 61 106.889 12.246 1.148 1.00 0.00 C ATOM 983 O VAL A 61 106.377 11.790 2.151 1.00 0.00 O ATOM 984 CB VAL A 61 105.968 14.399 0.279 1.00 0.00 C ATOM 985 CG1 VAL A 61 107.165 15.074 -0.390 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.673 14.944 -0.327 1.00 0.00 C ATOM 0 H VAL A 61 103.994 12.850 0.650 1.00 0.00 H new ATOM 0 HA VAL A 61 106.481 12.692 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 61 105.987 14.606 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 61 107.113 16.151 -0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 61 108.089 14.686 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 61 107.148 14.868 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 61 104.621 16.021 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.656 14.735 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.818 14.464 0.150 1.00 0.00 H new ATOM 996 N PHE A 62 108.181 12.198 0.970 1.00 0.00 N ATOM 997 CA PHE A 62 109.043 11.577 2.013 1.00 0.00 C ATOM 998 C PHE A 62 110.271 12.452 2.272 1.00 0.00 C ATOM 999 O PHE A 62 111.095 12.660 1.403 1.00 0.00 O ATOM 1000 CB PHE A 62 109.494 10.188 1.547 1.00 0.00 C ATOM 1001 CG PHE A 62 108.331 9.225 1.610 1.00 0.00 C ATOM 1002 CD1 PHE A 62 107.687 8.980 2.828 1.00 0.00 C ATOM 1003 CD2 PHE A 62 107.901 8.571 0.449 1.00 0.00 C ATOM 1004 CE1 PHE A 62 106.612 8.085 2.886 1.00 0.00 C ATOM 1005 CE2 PHE A 62 106.826 7.676 0.508 1.00 0.00 C ATOM 1006 CZ PHE A 62 106.182 7.433 1.726 1.00 0.00 C ATOM 0 H PHE A 62 108.673 12.559 0.153 1.00 0.00 H new ATOM 0 HA PHE A 62 108.471 11.485 2.936 1.00 0.00 H new ATOM 0 HB2 PHE A 62 109.878 10.243 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 62 110.309 9.830 2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 62 108.020 9.482 3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 62 108.398 8.757 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 62 106.115 7.898 3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 62 106.493 7.173 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 62 105.353 6.742 1.770 1.00 0.00 H new ATOM 1016 N GLU A 63 110.403 12.959 3.469 1.00 0.00 N ATOM 1017 CA GLU A 63 111.579 13.813 3.800 1.00 0.00 C ATOM 1018 C GLU A 63 112.563 12.997 4.644 1.00 0.00 C ATOM 1019 O GLU A 63 112.274 11.888 5.048 1.00 0.00 O ATOM 1020 CB GLU A 63 111.115 15.041 4.594 1.00 0.00 C ATOM 1021 CG GLU A 63 110.931 16.230 3.647 1.00 0.00 C ATOM 1022 CD GLU A 63 109.758 15.960 2.705 1.00 0.00 C ATOM 1023 OE1 GLU A 63 109.192 14.882 2.790 1.00 0.00 O ATOM 1024 OE2 GLU A 63 109.443 16.834 1.916 1.00 0.00 O ATOM 0 H GLU A 63 109.744 12.817 4.234 1.00 0.00 H new ATOM 0 HA GLU A 63 112.066 14.144 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 63 110.177 14.822 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 63 111.847 15.286 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 63 110.748 17.139 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 63 111.842 16.394 3.072 1.00 0.00 H new ATOM 1031 N LEU A 64 113.726 13.529 4.906 1.00 0.00 N ATOM 1032 CA LEU A 64 114.726 12.774 5.714 1.00 0.00 C ATOM 1033 C LEU A 64 114.782 13.326 7.142 1.00 0.00 C ATOM 1034 O LEU A 64 115.239 14.428 7.374 1.00 0.00 O ATOM 1035 CB LEU A 64 116.106 12.909 5.066 1.00 0.00 C ATOM 1036 CG LEU A 64 116.151 12.089 3.775 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.468 12.360 3.046 1.00 0.00 C ATOM 1038 CD2 LEU A 64 116.049 10.596 4.109 1.00 0.00 C ATOM 0 H LEU A 64 114.027 14.453 4.596 1.00 0.00 H new ATOM 0 HA LEU A 64 114.432 11.725 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 64 116.316 13.957 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.877 12.564 5.755 1.00 0.00 H new ATOM 0 HG LEU A 64 115.315 12.374 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.501 11.776 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 64 117.539 13.421 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 64 118.303 12.076 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 64 116.081 10.014 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 64 116.883 10.309 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 64 115.110 10.403 4.628 1.00 0.00 H new ATOM 1050 N GLY A 65 114.340 12.560 8.105 1.00 0.00 N ATOM 1051 CA GLY A 65 114.390 13.034 9.520 1.00 0.00 C ATOM 1052 C GLY A 65 113.030 13.593 9.943 1.00 0.00 C ATOM 1053 O GLY A 65 112.650 13.513 11.095 1.00 0.00 O ATOM 0 H GLY A 65 113.947 11.628 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.672 12.211 10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.155 13.803 9.626 1.00 0.00 H new ATOM 1057 N VAL A 66 112.296 14.167 9.031 1.00 0.00 N ATOM 1058 CA VAL A 66 110.969 14.736 9.398 1.00 0.00 C ATOM 1059 C VAL A 66 109.913 13.630 9.405 1.00 0.00 C ATOM 1060 O VAL A 66 109.542 13.108 8.373 1.00 0.00 O ATOM 1061 CB VAL A 66 110.576 15.807 8.378 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.345 16.563 8.879 1.00 0.00 C ATOM 1063 CG2 VAL A 66 111.737 16.788 8.197 1.00 0.00 C ATOM 0 H VAL A 66 112.556 14.267 8.050 1.00 0.00 H new ATOM 0 HA VAL A 66 111.031 15.179 10.392 1.00 0.00 H new ATOM 0 HB VAL A 66 110.347 15.333 7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.066 17.326 8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.518 15.865 9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.573 17.038 9.833 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.458 17.551 7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 66 111.965 17.262 9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.615 16.250 7.840 1.00 0.00 H new ATOM 1073 N THR A 67 109.418 13.269 10.560 1.00 0.00 N ATOM 1074 CA THR A 67 108.380 12.204 10.626 1.00 0.00 C ATOM 1075 C THR A 67 107.162 12.635 9.827 1.00 0.00 C ATOM 1076 O THR A 67 106.774 13.786 9.816 1.00 0.00 O ATOM 1077 CB THR A 67 107.964 11.971 12.076 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.065 12.232 12.935 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.502 10.522 12.255 1.00 0.00 C ATOM 0 H THR A 67 109.689 13.667 11.459 1.00 0.00 H new ATOM 0 HA THR A 67 108.790 11.283 10.213 1.00 0.00 H new ATOM 0 HB THR A 67 107.143 12.642 12.327 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.796 12.084 13.866 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.206 10.360 13.291 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.653 10.327 11.600 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.318 9.846 12.001 1.00 0.00 H new ATOM 1087 N PHE A 68 106.551 11.701 9.177 1.00 0.00 N ATOM 1088 CA PHE A 68 105.337 12.007 8.381 1.00 0.00 C ATOM 1089 C PHE A 68 104.474 10.757 8.354 1.00 0.00 C ATOM 1090 O PHE A 68 104.745 9.802 9.054 1.00 0.00 O ATOM 1091 CB PHE A 68 105.715 12.416 6.954 1.00 0.00 C ATOM 1092 CG PHE A 68 107.037 11.801 6.580 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.154 10.412 6.464 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.146 12.620 6.346 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.384 9.842 6.112 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.375 12.051 5.995 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.493 10.663 5.878 1.00 0.00 C ATOM 0 H PHE A 68 106.841 10.723 9.160 1.00 0.00 H new ATOM 0 HA PHE A 68 104.795 12.838 8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.943 12.092 6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.775 13.502 6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.297 9.780 6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 68 108.054 13.692 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.477 8.770 6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.232 12.683 5.815 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.441 10.224 5.607 1.00 0.00 H new ATOM 1107 N ASN A 69 103.438 10.739 7.570 1.00 0.00 N ATOM 1108 CA ASN A 69 102.577 9.531 7.538 1.00 0.00 C ATOM 1109 C ASN A 69 102.176 9.200 6.103 1.00 0.00 C ATOM 1110 O ASN A 69 102.053 10.064 5.257 1.00 0.00 O ATOM 1111 CB ASN A 69 101.321 9.776 8.375 1.00 0.00 C ATOM 1112 CG ASN A 69 100.440 10.817 7.682 1.00 0.00 C ATOM 1113 OD1 ASN A 69 100.934 11.689 6.996 1.00 0.00 O ATOM 1114 ND2 ASN A 69 99.144 10.760 7.832 1.00 0.00 N ATOM 0 H ASN A 69 103.152 11.501 6.955 1.00 0.00 H new ATOM 0 HA ASN A 69 103.136 8.691 7.950 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.769 8.845 8.503 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.597 10.123 9.371 1.00 0.00 H new ATOM 0 HD21 ASN A 69 98.547 11.448 7.373 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.729 10.028 8.408 1.00 0.00 H new ATOM 1121 N CYS A 70 101.962 7.945 5.834 1.00 0.00 N ATOM 1122 CA CYS A 70 101.556 7.517 4.473 1.00 0.00 C ATOM 1123 C CYS A 70 100.734 6.238 4.608 1.00 0.00 C ATOM 1124 O CYS A 70 101.088 5.344 5.352 1.00 0.00 O ATOM 1125 CB CYS A 70 102.797 7.251 3.619 1.00 0.00 C ATOM 1126 SG CYS A 70 103.709 8.797 3.384 1.00 0.00 S ATOM 0 H CYS A 70 102.053 7.188 6.511 1.00 0.00 H new ATOM 0 HA CYS A 70 100.967 8.297 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.433 6.511 4.104 1.00 0.00 H new ATOM 0 HB3 CYS A 70 102.506 6.838 2.653 1.00 0.00 H new ATOM 1132 N ASN A 71 99.632 6.143 3.923 1.00 0.00 N ATOM 1133 CA ASN A 71 98.797 4.920 4.052 1.00 0.00 C ATOM 1134 C ASN A 71 99.116 3.940 2.924 1.00 0.00 C ATOM 1135 O ASN A 71 99.418 4.329 1.814 1.00 0.00 O ATOM 1136 CB ASN A 71 97.316 5.301 3.996 1.00 0.00 C ATOM 1137 CG ASN A 71 97.086 6.292 2.855 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.657 7.465 2.900 1.00 0.00 O flip ATOM 1139 ND2 ASN A 71 96.379 5.997 1.911 1.00 0.00 N flip ATOM 0 H ASN A 71 99.275 6.853 3.284 1.00 0.00 H new ATOM 0 HA ASN A 71 99.016 4.443 5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.706 4.410 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 71 97.007 5.743 4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 71 95.932 5.081 1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.232 6.666 1.155 1.00 0.00 H new ATOM 1146 N LEU A 72 99.046 2.668 3.206 1.00 0.00 N ATOM 1147 CA LEU A 72 99.342 1.655 2.154 1.00 0.00 C ATOM 1148 C LEU A 72 98.035 1.214 1.490 1.00 0.00 C ATOM 1149 O LEU A 72 96.997 1.153 2.121 1.00 0.00 O ATOM 1150 CB LEU A 72 100.021 0.439 2.790 1.00 0.00 C ATOM 1151 CG LEU A 72 101.364 0.856 3.390 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.760 -0.134 4.488 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.435 0.853 2.296 1.00 0.00 C ATOM 0 H LEU A 72 98.797 2.287 4.119 1.00 0.00 H new ATOM 0 HA LEU A 72 100.004 2.092 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.381 0.016 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.172 -0.339 2.041 1.00 0.00 H new ATOM 0 HG LEU A 72 101.277 1.857 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.717 0.162 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 72 100.998 -0.136 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.847 -1.134 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.393 1.150 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.521 -0.148 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 72 102.155 1.555 1.511 1.00 0.00 H new ATOM 1165 N ALA A 73 98.085 0.902 0.222 1.00 0.00 N ATOM 1166 CA ALA A 73 96.853 0.463 -0.493 1.00 0.00 C ATOM 1167 C ALA A 73 96.074 -0.517 0.385 1.00 0.00 C ATOM 1168 O ALA A 73 94.859 -0.542 0.376 1.00 0.00 O ATOM 1169 CB ALA A 73 97.242 -0.224 -1.803 1.00 0.00 C ATOM 0 H ALA A 73 98.929 0.933 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 73 96.230 1.331 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.342 -0.545 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 73 97.796 0.475 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 73 97.866 -1.092 -1.588 1.00 0.00 H new ATOM 1175 N ASP A 74 96.762 -1.323 1.144 1.00 0.00 N ATOM 1176 CA ASP A 74 96.055 -2.297 2.022 1.00 0.00 C ATOM 1177 C ASP A 74 95.114 -1.539 2.961 1.00 0.00 C ATOM 1178 O ASP A 74 94.476 -2.119 3.817 1.00 0.00 O ATOM 1179 CB ASP A 74 97.080 -3.077 2.848 1.00 0.00 C ATOM 1180 CG ASP A 74 98.023 -3.834 1.908 1.00 0.00 C ATOM 1181 OD1 ASP A 74 99.221 -3.629 2.012 1.00 0.00 O ATOM 1182 OD2 ASP A 74 97.529 -4.604 1.102 1.00 0.00 O ATOM 0 H ASP A 74 97.780 -1.350 1.195 1.00 0.00 H new ATOM 0 HA ASP A 74 95.480 -2.991 1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.649 -2.395 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 74 96.572 -3.777 3.512 1.00 0.00 H new ATOM 1187 N GLY A 75 95.025 -0.246 2.807 1.00 0.00 N ATOM 1188 CA GLY A 75 94.127 0.549 3.689 1.00 0.00 C ATOM 1189 C GLY A 75 94.796 0.743 5.049 1.00 0.00 C ATOM 1190 O GLY A 75 94.138 0.928 6.054 1.00 0.00 O ATOM 0 H GLY A 75 95.536 0.293 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.915 1.517 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.172 0.038 3.810 1.00 0.00 H new ATOM 1194 N THR A 76 96.101 0.699 5.092 1.00 0.00 N ATOM 1195 CA THR A 76 96.808 0.877 6.385 1.00 0.00 C ATOM 1196 C THR A 76 97.327 2.309 6.492 1.00 0.00 C ATOM 1197 O THR A 76 97.453 3.012 5.512 1.00 0.00 O ATOM 1198 CB THR A 76 97.989 -0.086 6.466 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.815 -1.131 5.520 1.00 0.00 O ATOM 1200 CG2 THR A 76 98.085 -0.674 7.875 1.00 0.00 C ATOM 0 H THR A 76 96.705 0.547 4.284 1.00 0.00 H new ATOM 0 HA THR A 76 96.113 0.673 7.200 1.00 0.00 H new ATOM 0 HB THR A 76 98.909 0.454 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.574 -1.748 5.571 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.930 -1.361 7.926 1.00 0.00 H new ATOM 0 HG22 THR A 76 98.227 0.131 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 76 97.166 -1.212 8.108 1.00 0.00 H new ATOM 1208 N GLU A 77 97.632 2.731 7.681 1.00 0.00 N ATOM 1209 CA GLU A 77 98.154 4.108 7.886 1.00 0.00 C ATOM 1210 C GLU A 77 99.372 4.046 8.810 1.00 0.00 C ATOM 1211 O GLU A 77 99.288 3.543 9.914 1.00 0.00 O ATOM 1212 CB GLU A 77 97.068 4.974 8.524 1.00 0.00 C ATOM 1213 CG GLU A 77 97.489 6.441 8.462 1.00 0.00 C ATOM 1214 CD GLU A 77 96.464 7.301 9.205 1.00 0.00 C ATOM 1215 OE1 GLU A 77 96.711 8.486 9.354 1.00 0.00 O ATOM 1216 OE2 GLU A 77 95.451 6.758 9.612 1.00 0.00 O ATOM 0 H GLU A 77 97.542 2.175 8.532 1.00 0.00 H new ATOM 0 HA GLU A 77 98.442 4.542 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.122 4.833 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.909 4.673 9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.475 6.566 8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.566 6.764 7.424 1.00 0.00 H new ATOM 1223 N LEU A 78 100.506 4.540 8.382 1.00 0.00 N ATOM 1224 CA LEU A 78 101.708 4.482 9.271 1.00 0.00 C ATOM 1225 C LEU A 78 102.472 5.808 9.236 1.00 0.00 C ATOM 1226 O LEU A 78 102.301 6.617 8.347 1.00 0.00 O ATOM 1227 CB LEU A 78 102.634 3.353 8.814 1.00 0.00 C ATOM 1228 CG LEU A 78 101.808 2.237 8.172 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.370 2.654 6.761 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.659 0.967 8.092 1.00 0.00 C ATOM 0 H LEU A 78 100.652 4.974 7.471 1.00 0.00 H new ATOM 0 HA LEU A 78 101.373 4.296 10.291 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.364 3.735 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.193 2.962 9.664 1.00 0.00 H new ATOM 0 HG LEU A 78 100.920 2.049 8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.782 1.854 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.765 3.559 6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.251 2.846 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 78 102.077 0.167 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.546 1.161 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.962 0.668 9.096 1.00 0.00 H new ATOM 1242 N ARG A 79 103.322 6.029 10.208 1.00 0.00 N ATOM 1243 CA ARG A 79 104.111 7.300 10.248 1.00 0.00 C ATOM 1244 C ARG A 79 105.509 7.032 10.809 1.00 0.00 C ATOM 1245 O ARG A 79 105.688 6.211 11.687 1.00 0.00 O ATOM 1246 CB ARG A 79 103.391 8.318 11.137 1.00 0.00 C ATOM 1247 CG ARG A 79 103.408 7.835 12.589 1.00 0.00 C ATOM 1248 CD ARG A 79 102.579 8.786 13.456 1.00 0.00 C ATOM 1249 NE ARG A 79 102.431 10.096 12.760 1.00 0.00 N ATOM 1250 CZ ARG A 79 103.370 10.997 12.860 1.00 0.00 C ATOM 1251 NH1 ARG A 79 103.241 12.143 12.249 1.00 0.00 N ATOM 1252 NH2 ARG A 79 104.438 10.751 13.568 1.00 0.00 N ATOM 0 H ARG A 79 103.504 5.384 10.977 1.00 0.00 H new ATOM 0 HA ARG A 79 104.203 7.695 9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.877 9.290 11.061 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.363 8.449 10.799 1.00 0.00 H new ATOM 0 HG2 ARG A 79 103.004 6.824 12.651 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.433 7.792 12.957 1.00 0.00 H new ATOM 0 HD2 ARG A 79 101.598 8.354 13.652 1.00 0.00 H new ATOM 0 HD3 ARG A 79 103.063 8.929 14.422 1.00 0.00 H new ATOM 0 HE ARG A 79 101.596 10.288 12.206 1.00 0.00 H new ATOM 0 HH11 ARG A 79 102.407 12.334 11.694 1.00 0.00 H new ATOM 0 HH12 ARG A 79 103.974 12.848 12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 79 104.539 9.854 14.044 1.00 0.00 H new ATOM 0 HH22 ARG A 79 105.172 11.455 13.646 1.00 0.00 H new ATOM 1266 N GLY A 80 106.508 7.717 10.307 1.00 0.00 N ATOM 1267 CA GLY A 80 107.880 7.505 10.805 1.00 0.00 C ATOM 1268 C GLY A 80 108.830 8.271 9.898 1.00 0.00 C ATOM 1269 O GLY A 80 108.746 9.476 9.783 1.00 0.00 O ATOM 0 H GLY A 80 106.419 8.416 9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.971 7.854 11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.126 6.443 10.805 1.00 0.00 H new ATOM 1273 N THR A 81 109.714 7.591 9.230 1.00 0.00 N ATOM 1274 CA THR A 81 110.654 8.309 8.318 1.00 0.00 C ATOM 1275 C THR A 81 111.715 7.351 7.778 1.00 0.00 C ATOM 1276 O THR A 81 112.005 6.328 8.366 1.00 0.00 O ATOM 1277 CB THR A 81 111.353 9.441 9.085 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.957 9.407 10.449 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.977 10.793 8.476 1.00 0.00 C ATOM 0 H THR A 81 109.830 6.578 9.272 1.00 0.00 H new ATOM 0 HA THR A 81 110.081 8.717 7.485 1.00 0.00 H new ATOM 0 HB THR A 81 112.432 9.306 9.016 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.125 9.912 10.561 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.477 11.591 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.289 10.821 7.432 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.898 10.932 8.536 1.00 0.00 H new ATOM 1287 N TRP A 82 112.312 7.697 6.670 1.00 0.00 N ATOM 1288 CA TRP A 82 113.379 6.829 6.095 1.00 0.00 C ATOM 1289 C TRP A 82 114.743 7.436 6.416 1.00 0.00 C ATOM 1290 O TRP A 82 114.910 8.638 6.426 1.00 0.00 O ATOM 1291 CB TRP A 82 113.228 6.727 4.574 1.00 0.00 C ATOM 1292 CG TRP A 82 111.789 6.583 4.209 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.879 7.578 4.255 1.00 0.00 C ATOM 1294 CD2 TRP A 82 111.083 5.401 3.735 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.655 7.086 3.845 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.729 5.745 3.512 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.482 4.077 3.482 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.803 4.807 3.052 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.555 3.130 3.019 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.218 3.495 2.805 1.00 0.00 C ATOM 0 H TRP A 82 112.107 8.543 6.138 1.00 0.00 H new ATOM 0 HA TRP A 82 113.293 5.833 6.528 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.644 7.616 4.099 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.793 5.872 4.201 1.00 0.00 H new ATOM 0 HD1 TRP A 82 111.076 8.594 4.563 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.802 7.643 3.794 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.509 3.786 3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.774 5.093 2.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.873 2.116 2.827 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.509 2.762 2.449 1.00 0.00 H new ATOM 1311 N SER A 83 115.720 6.614 6.677 1.00 0.00 N ATOM 1312 CA SER A 83 117.073 7.145 6.996 1.00 0.00 C ATOM 1313 C SER A 83 118.109 6.254 6.325 1.00 0.00 C ATOM 1314 O SER A 83 117.841 5.119 6.013 1.00 0.00 O ATOM 1315 CB SER A 83 117.287 7.136 8.510 1.00 0.00 C ATOM 1316 OG SER A 83 116.057 7.427 9.160 1.00 0.00 O ATOM 0 H SER A 83 115.640 5.597 6.683 1.00 0.00 H new ATOM 0 HA SER A 83 117.169 8.169 6.634 1.00 0.00 H new ATOM 0 HB2 SER A 83 117.660 6.163 8.830 1.00 0.00 H new ATOM 0 HB3 SER A 83 118.041 7.873 8.787 1.00 0.00 H new ATOM 0 HG SER A 83 116.190 7.420 10.131 1.00 0.00 H new ATOM 1322 N LEU A 84 119.287 6.736 6.079 1.00 0.00 N ATOM 1323 CA LEU A 84 120.286 5.866 5.430 1.00 0.00 C ATOM 1324 C LEU A 84 121.067 5.136 6.527 1.00 0.00 C ATOM 1325 O LEU A 84 121.562 5.738 7.459 1.00 0.00 O ATOM 1326 CB LEU A 84 121.216 6.722 4.558 1.00 0.00 C ATOM 1327 CG LEU A 84 122.672 6.314 4.779 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.905 4.911 4.212 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.593 7.311 4.072 1.00 0.00 C ATOM 0 H LEU A 84 119.597 7.683 6.297 1.00 0.00 H new ATOM 0 HA LEU A 84 119.805 5.131 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.953 6.602 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 84 121.085 7.776 4.801 1.00 0.00 H new ATOM 0 HG LEU A 84 122.889 6.312 5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.944 4.622 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.250 4.201 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.687 4.909 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.632 7.021 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 84 123.374 7.314 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.429 8.309 4.479 1.00 0.00 H new ATOM 1341 N GLU A 85 121.176 3.844 6.422 1.00 0.00 N ATOM 1342 CA GLU A 85 121.916 3.064 7.442 1.00 0.00 C ATOM 1343 C GLU A 85 122.908 2.155 6.719 1.00 0.00 C ATOM 1344 O GLU A 85 122.531 1.325 5.915 1.00 0.00 O ATOM 1345 CB GLU A 85 120.921 2.232 8.264 1.00 0.00 C ATOM 1346 CG GLU A 85 121.462 0.816 8.479 1.00 0.00 C ATOM 1347 CD GLU A 85 120.622 0.103 9.541 1.00 0.00 C ATOM 1348 OE1 GLU A 85 121.069 0.037 10.675 1.00 0.00 O ATOM 1349 OE2 GLU A 85 119.546 -0.363 9.203 1.00 0.00 O ATOM 0 H GLU A 85 120.778 3.291 5.663 1.00 0.00 H new ATOM 0 HA GLU A 85 122.455 3.725 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.744 2.711 9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 85 119.961 2.188 7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 85 121.433 0.258 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 85 122.505 0.858 8.793 1.00 0.00 H new ATOM 1356 N GLY A 86 124.173 2.316 6.976 1.00 0.00 N ATOM 1357 CA GLY A 86 125.174 1.468 6.279 1.00 0.00 C ATOM 1358 C GLY A 86 125.053 1.701 4.772 1.00 0.00 C ATOM 1359 O GLY A 86 125.438 2.737 4.264 1.00 0.00 O ATOM 0 H GLY A 86 124.556 2.994 7.635 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.180 1.714 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.007 0.417 6.513 1.00 0.00 H new ATOM 1363 N ASN A 87 124.521 0.751 4.052 1.00 0.00 N ATOM 1364 CA ASN A 87 124.376 0.923 2.578 1.00 0.00 C ATOM 1365 C ASN A 87 122.918 0.708 2.157 1.00 0.00 C ATOM 1366 O ASN A 87 122.649 0.192 1.091 1.00 0.00 O ATOM 1367 CB ASN A 87 125.266 -0.092 1.858 1.00 0.00 C ATOM 1368 CG ASN A 87 126.716 0.396 1.877 1.00 0.00 C ATOM 1369 OD1 ASN A 87 127.457 0.098 2.792 1.00 0.00 O ATOM 1370 ND2 ASN A 87 127.154 1.140 0.899 1.00 0.00 N ATOM 0 H ASN A 87 124.180 -0.137 4.421 1.00 0.00 H new ATOM 0 HA ASN A 87 124.676 1.936 2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 87 125.192 -1.065 2.344 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.929 -0.223 0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 87 128.119 1.471 0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 87 126.532 1.390 0.130 1.00 0.00 H new ATOM 1377 N LYS A 88 121.972 1.086 2.975 1.00 0.00 N ATOM 1378 CA LYS A 88 120.549 0.877 2.587 1.00 0.00 C ATOM 1379 C LYS A 88 119.675 1.995 3.159 1.00 0.00 C ATOM 1380 O LYS A 88 120.023 2.633 4.132 1.00 0.00 O ATOM 1381 CB LYS A 88 120.072 -0.469 3.132 1.00 0.00 C ATOM 1382 CG LYS A 88 120.028 -0.418 4.664 1.00 0.00 C ATOM 1383 CD LYS A 88 120.535 -1.742 5.239 1.00 0.00 C ATOM 1384 CE LYS A 88 122.064 -1.737 5.257 1.00 0.00 C ATOM 1385 NZ LYS A 88 122.566 -3.142 5.280 1.00 0.00 N ATOM 0 H LYS A 88 122.121 1.525 3.884 1.00 0.00 H new ATOM 0 HA LYS A 88 120.470 0.888 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.083 -0.703 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.742 -1.264 2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.642 0.406 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 88 119.009 -0.230 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 88 120.149 -1.884 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 88 120.170 -2.575 4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 88 122.447 -1.217 4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 88 122.426 -1.196 6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 123.606 -3.139 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 122.211 -3.624 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 122.231 -3.644 4.433 1.00 0.00 H new ATOM 1399 N LEU A 89 118.534 2.228 2.563 1.00 0.00 N ATOM 1400 CA LEU A 89 117.630 3.295 3.077 1.00 0.00 C ATOM 1401 C LEU A 89 116.596 2.659 4.007 1.00 0.00 C ATOM 1402 O LEU A 89 115.734 1.920 3.578 1.00 0.00 O ATOM 1403 CB LEU A 89 116.919 3.974 1.902 1.00 0.00 C ATOM 1404 CG LEU A 89 117.719 5.198 1.454 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.390 5.517 -0.006 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.351 6.397 2.330 1.00 0.00 C ATOM 0 H LEU A 89 118.191 1.725 1.744 1.00 0.00 H new ATOM 0 HA LEU A 89 118.208 4.041 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.814 3.273 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.913 4.273 2.197 1.00 0.00 H new ATOM 0 HG LEU A 89 118.784 4.989 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.960 6.389 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.651 4.664 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.324 5.725 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 89 117.921 7.269 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.285 6.605 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.584 6.172 3.371 1.00 0.00 H new ATOM 1418 N ILE A 90 116.679 2.930 5.279 1.00 0.00 N ATOM 1419 CA ILE A 90 115.706 2.325 6.229 1.00 0.00 C ATOM 1420 C ILE A 90 114.375 3.069 6.174 1.00 0.00 C ATOM 1421 O ILE A 90 114.272 4.157 5.648 1.00 0.00 O ATOM 1422 CB ILE A 90 116.246 2.355 7.652 1.00 0.00 C ATOM 1423 CG1 ILE A 90 117.174 3.544 7.831 1.00 0.00 C ATOM 1424 CG2 ILE A 90 117.017 1.065 7.934 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.517 3.674 9.307 1.00 0.00 C ATOM 0 H ILE A 90 117.377 3.543 5.701 1.00 0.00 H new ATOM 0 HA ILE A 90 115.551 1.287 5.933 1.00 0.00 H new ATOM 0 HB ILE A 90 115.411 2.443 8.347 1.00 0.00 H new ATOM 0 HG12 ILE A 90 118.081 3.408 7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.695 4.455 7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.403 1.087 8.953 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.351 0.210 7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.847 0.977 7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 90 118.183 4.524 9.452 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.603 3.827 9.881 1.00 0.00 H new ATOM 0 HD13 ILE A 90 118.011 2.764 9.647 1.00 0.00 H new ATOM 1437 N GLY A 91 113.360 2.464 6.718 1.00 0.00 N ATOM 1438 CA GLY A 91 112.006 3.083 6.727 1.00 0.00 C ATOM 1439 C GLY A 91 111.293 2.662 8.010 1.00 0.00 C ATOM 1440 O GLY A 91 110.708 1.601 8.091 1.00 0.00 O ATOM 0 H GLY A 91 113.411 1.549 7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 91 112.085 4.169 6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.437 2.763 5.854 1.00 0.00 H new ATOM 1444 N LYS A 92 111.341 3.480 9.013 1.00 0.00 N ATOM 1445 CA LYS A 92 110.673 3.128 10.293 1.00 0.00 C ATOM 1446 C LYS A 92 109.227 3.603 10.241 1.00 0.00 C ATOM 1447 O LYS A 92 108.956 4.778 10.345 1.00 0.00 O ATOM 1448 CB LYS A 92 111.397 3.809 11.456 1.00 0.00 C ATOM 1449 CG LYS A 92 112.524 2.903 11.956 1.00 0.00 C ATOM 1450 CD LYS A 92 113.254 3.586 13.114 1.00 0.00 C ATOM 1451 CE LYS A 92 114.524 2.802 13.451 1.00 0.00 C ATOM 1452 NZ LYS A 92 115.612 3.190 12.510 1.00 0.00 N ATOM 0 H LYS A 92 111.816 4.383 9.005 1.00 0.00 H new ATOM 0 HA LYS A 92 110.702 2.048 10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.803 4.768 11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.696 4.015 12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 92 112.117 1.946 12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 92 113.222 2.693 11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 92 113.508 4.611 12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.604 3.638 13.987 1.00 0.00 H new ATOM 0 HE2 LYS A 92 114.828 3.005 14.478 1.00 0.00 H new ATOM 0 HE3 LYS A 92 114.333 1.731 13.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 116.475 2.657 12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 115.321 2.975 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 115.800 4.209 12.598 1.00 0.00 H new ATOM 1466 N PHE A 93 108.299 2.701 10.069 1.00 0.00 N ATOM 1467 CA PHE A 93 106.866 3.099 9.996 1.00 0.00 C ATOM 1468 C PHE A 93 106.084 2.459 11.133 1.00 0.00 C ATOM 1469 O PHE A 93 106.282 1.313 11.482 1.00 0.00 O ATOM 1470 CB PHE A 93 106.274 2.648 8.655 1.00 0.00 C ATOM 1471 CG PHE A 93 106.578 3.658 7.565 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.209 4.872 7.871 1.00 0.00 C ATOM 1473 CD2 PHE A 93 106.221 3.374 6.241 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.482 5.796 6.856 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.495 4.299 5.226 1.00 0.00 C ATOM 1476 CZ PHE A 93 107.125 5.511 5.535 1.00 0.00 C ATOM 0 H PHE A 93 108.474 1.700 9.976 1.00 0.00 H new ATOM 0 HA PHE A 93 106.797 4.183 10.082 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.683 1.676 8.380 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.195 2.524 8.752 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.485 5.094 8.891 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.734 2.440 6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.969 6.730 7.094 1.00 0.00 H new ATOM 0 HE2 PHE A 93 106.221 4.078 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 93 107.335 6.225 4.753 1.00 0.00 H new ATOM 1486 N LYS A 94 105.184 3.206 11.703 1.00 0.00 N ATOM 1487 CA LYS A 94 104.358 2.673 12.816 1.00 0.00 C ATOM 1488 C LYS A 94 102.885 2.770 12.438 1.00 0.00 C ATOM 1489 O LYS A 94 102.371 3.840 12.179 1.00 0.00 O ATOM 1490 CB LYS A 94 104.610 3.487 14.085 1.00 0.00 C ATOM 1491 CG LYS A 94 105.742 2.850 14.891 1.00 0.00 C ATOM 1492 CD LYS A 94 106.414 3.919 15.750 1.00 0.00 C ATOM 1493 CE LYS A 94 107.328 3.252 16.780 1.00 0.00 C ATOM 1494 NZ LYS A 94 107.716 1.897 16.297 1.00 0.00 N ATOM 0 H LYS A 94 104.984 4.172 11.442 1.00 0.00 H new ATOM 0 HA LYS A 94 104.626 1.632 12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.869 4.513 13.825 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.702 3.530 14.687 1.00 0.00 H new ATOM 0 HG2 LYS A 94 105.350 2.053 15.523 1.00 0.00 H new ATOM 0 HG3 LYS A 94 106.471 2.396 14.220 1.00 0.00 H new ATOM 0 HD2 LYS A 94 106.992 4.595 15.120 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.659 4.521 16.255 1.00 0.00 H new ATOM 0 HE2 LYS A 94 108.218 3.861 16.941 1.00 0.00 H new ATOM 0 HE3 LYS A 94 106.817 3.175 17.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 108.522 1.548 16.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 106.912 1.246 16.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 107.985 1.950 15.294 1.00 0.00 H new ATOM 1508 N ARG A 95 102.201 1.661 12.411 1.00 0.00 N ATOM 1509 CA ARG A 95 100.758 1.688 12.056 1.00 0.00 C ATOM 1510 C ARG A 95 100.052 2.697 12.960 1.00 0.00 C ATOM 1511 O ARG A 95 99.979 2.525 14.159 1.00 0.00 O ATOM 1512 CB ARG A 95 100.154 0.292 12.257 1.00 0.00 C ATOM 1513 CG ARG A 95 99.574 -0.217 10.933 1.00 0.00 C ATOM 1514 CD ARG A 95 99.241 -1.708 11.053 1.00 0.00 C ATOM 1515 NE ARG A 95 97.983 -1.996 10.308 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.411 -3.165 10.421 1.00 0.00 C ATOM 1517 NH1 ARG A 95 96.311 -3.419 9.768 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.941 -4.078 11.187 1.00 0.00 N ATOM 0 H ARG A 95 102.580 0.737 12.620 1.00 0.00 H new ATOM 0 HA ARG A 95 100.633 1.978 11.013 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.918 -0.396 12.619 1.00 0.00 H new ATOM 0 HB3 ARG A 95 99.373 0.329 13.017 1.00 0.00 H new ATOM 0 HG2 ARG A 95 98.676 0.346 10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 95 100.290 -0.058 10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 95 100.059 -2.308 10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.127 -1.983 12.102 1.00 0.00 H new ATOM 0 HE ARG A 95 97.569 -1.281 9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.897 -2.705 9.169 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.865 -4.332 9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.801 -3.879 11.697 1.00 0.00 H new ATOM 0 HH22 ARG A 95 97.495 -4.991 11.276 1.00 0.00 H new ATOM 1532 N THR A 96 99.539 3.751 12.401 1.00 0.00 N ATOM 1533 CA THR A 96 98.850 4.770 13.237 1.00 0.00 C ATOM 1534 C THR A 96 97.549 4.196 13.760 1.00 0.00 C ATOM 1535 O THR A 96 96.904 4.735 14.637 1.00 0.00 O ATOM 1536 CB THR A 96 98.563 6.002 12.388 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.582 5.639 11.015 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.629 7.065 12.649 1.00 0.00 C ATOM 0 H THR A 96 99.566 3.953 11.402 1.00 0.00 H new ATOM 0 HA THR A 96 99.485 5.048 14.079 1.00 0.00 H new ATOM 0 HB THR A 96 97.583 6.403 12.648 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.431 5.920 10.614 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.422 7.945 12.041 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.617 7.341 13.703 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.610 6.668 12.390 1.00 0.00 H new ATOM 1546 N ASP A 97 97.181 3.103 13.213 1.00 0.00 N ATOM 1547 CA ASP A 97 95.923 2.424 13.627 1.00 0.00 C ATOM 1548 C ASP A 97 96.165 1.635 14.915 1.00 0.00 C ATOM 1549 O ASP A 97 95.409 1.727 15.862 1.00 0.00 O ATOM 1550 CB ASP A 97 95.471 1.470 12.520 1.00 0.00 C ATOM 1551 CG ASP A 97 94.756 2.262 11.424 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.744 1.783 10.939 1.00 0.00 O ATOM 1553 OD2 ASP A 97 95.233 3.333 11.088 1.00 0.00 O ATOM 0 H ASP A 97 97.701 2.626 12.476 1.00 0.00 H new ATOM 0 HA ASP A 97 95.149 3.171 13.802 1.00 0.00 H new ATOM 0 HB2 ASP A 97 96.331 0.947 12.103 1.00 0.00 H new ATOM 0 HB3 ASP A 97 94.804 0.711 12.929 1.00 0.00 H new ATOM 1558 N ASN A 98 97.210 0.855 14.954 1.00 0.00 N ATOM 1559 CA ASN A 98 97.499 0.054 16.176 1.00 0.00 C ATOM 1560 C ASN A 98 98.973 0.199 16.566 1.00 0.00 C ATOM 1561 O ASN A 98 99.472 -0.524 17.404 1.00 0.00 O ATOM 1562 CB ASN A 98 97.188 -1.418 15.903 1.00 0.00 C ATOM 1563 CG ASN A 98 95.727 -1.560 15.469 1.00 0.00 C ATOM 1564 OD1 ASN A 98 94.829 -1.160 16.183 1.00 0.00 O ATOM 1565 ND2 ASN A 98 95.451 -2.116 14.322 1.00 0.00 N ATOM 0 H ASN A 98 97.877 0.738 14.191 1.00 0.00 H new ATOM 0 HA ASN A 98 96.878 0.417 16.995 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.848 -1.802 15.125 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.372 -2.012 16.799 1.00 0.00 H new ATOM 0 HD21 ASN A 98 94.481 -2.215 14.024 1.00 0.00 H new ATOM 0 HD22 ASN A 98 96.205 -2.452 13.723 1.00 0.00 H new ATOM 1572 N GLY A 99 99.677 1.123 15.970 1.00 0.00 N ATOM 1573 CA GLY A 99 101.118 1.296 16.320 1.00 0.00 C ATOM 1574 C GLY A 99 101.798 -0.073 16.358 1.00 0.00 C ATOM 1575 O GLY A 99 102.558 -0.374 17.257 1.00 0.00 O ATOM 0 H GLY A 99 99.320 1.763 15.260 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.607 1.937 15.587 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.212 1.788 17.288 1.00 0.00 H new ATOM 1579 N ASN A 100 101.528 -0.904 15.390 1.00 0.00 N ATOM 1580 CA ASN A 100 102.156 -2.257 15.372 1.00 0.00 C ATOM 1581 C ASN A 100 103.580 -2.157 14.831 1.00 0.00 C ATOM 1582 O ASN A 100 104.163 -3.128 14.395 1.00 0.00 O ATOM 1583 CB ASN A 100 101.336 -3.184 14.479 1.00 0.00 C ATOM 1584 CG ASN A 100 100.214 -3.830 15.296 1.00 0.00 C ATOM 1585 OD1 ASN A 100 100.203 -3.745 16.508 1.00 0.00 O ATOM 1586 ND2 ASN A 100 99.264 -4.477 14.678 1.00 0.00 N ATOM 0 H ASN A 100 100.900 -0.706 14.611 1.00 0.00 H new ATOM 0 HA ASN A 100 102.184 -2.656 16.386 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.915 -2.622 13.645 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.978 -3.955 14.052 1.00 0.00 H new ATOM 0 HD21 ASN A 100 98.512 -4.912 15.212 1.00 0.00 H new ATOM 0 HD22 ASN A 100 99.274 -4.548 13.661 1.00 0.00 H new ATOM 1593 N GLU A 101 104.130 -0.983 14.872 1.00 0.00 N ATOM 1594 CA GLU A 101 105.525 -0.756 14.379 1.00 0.00 C ATOM 1595 C GLU A 101 105.772 -1.492 13.056 1.00 0.00 C ATOM 1596 O GLU A 101 105.095 -2.437 12.710 1.00 0.00 O ATOM 1597 CB GLU A 101 106.533 -1.227 15.438 1.00 0.00 C ATOM 1598 CG GLU A 101 106.616 -2.757 15.455 1.00 0.00 C ATOM 1599 CD GLU A 101 107.802 -3.189 16.319 1.00 0.00 C ATOM 1600 OE1 GLU A 101 108.092 -4.374 16.340 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.398 -2.328 16.945 1.00 0.00 O ATOM 0 H GLU A 101 103.668 -0.148 15.233 1.00 0.00 H new ATOM 0 HA GLU A 101 105.656 0.311 14.201 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.516 -0.806 15.226 1.00 0.00 H new ATOM 0 HB3 GLU A 101 106.235 -0.862 16.421 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.691 -3.179 15.849 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.733 -3.138 14.440 1.00 0.00 H new ATOM 1608 N LEU A 102 106.757 -1.055 12.319 1.00 0.00 N ATOM 1609 CA LEU A 102 107.088 -1.709 11.024 1.00 0.00 C ATOM 1610 C LEU A 102 108.519 -1.324 10.653 1.00 0.00 C ATOM 1611 O LEU A 102 108.855 -0.158 10.591 1.00 0.00 O ATOM 1612 CB LEU A 102 106.123 -1.227 9.935 1.00 0.00 C ATOM 1613 CG LEU A 102 106.376 -2.007 8.640 1.00 0.00 C ATOM 1614 CD1 LEU A 102 105.204 -1.794 7.677 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.673 -1.519 7.981 1.00 0.00 C ATOM 0 H LEU A 102 107.352 -0.264 12.563 1.00 0.00 H new ATOM 0 HA LEU A 102 106.997 -2.791 11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 102 105.092 -1.368 10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 102 106.259 -0.160 9.761 1.00 0.00 H new ATOM 0 HG LEU A 102 106.469 -3.067 8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 102 105.384 -2.349 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 102 104.283 -2.149 8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 102 105.109 -0.732 7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.846 -2.078 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.587 -0.457 7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.509 -1.675 8.663 1.00 0.00 H new ATOM 1627 N ASN A 103 109.372 -2.284 10.416 1.00 0.00 N ATOM 1628 CA ASN A 103 110.781 -1.945 10.063 1.00 0.00 C ATOM 1629 C ASN A 103 111.049 -2.363 8.622 1.00 0.00 C ATOM 1630 O ASN A 103 111.047 -3.530 8.298 1.00 0.00 O ATOM 1631 CB ASN A 103 111.741 -2.683 11.005 1.00 0.00 C ATOM 1632 CG ASN A 103 112.940 -1.788 11.321 1.00 0.00 C ATOM 1633 OD1 ASN A 103 113.715 -1.456 10.444 1.00 0.00 O ATOM 1634 ND2 ASN A 103 113.130 -1.378 12.546 1.00 0.00 N ATOM 0 H ASN A 103 109.157 -3.280 10.451 1.00 0.00 H new ATOM 0 HA ASN A 103 110.937 -0.871 10.167 1.00 0.00 H new ATOM 0 HB2 ASN A 103 111.225 -2.955 11.926 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.079 -3.610 10.543 1.00 0.00 H new ATOM 0 HD21 ASN A 103 113.927 -0.781 12.766 1.00 0.00 H new ATOM 0 HD22 ASN A 103 112.481 -1.655 13.283 1.00 0.00 H new ATOM 1641 N THR A 104 111.259 -1.420 7.746 1.00 0.00 N ATOM 1642 CA THR A 104 111.495 -1.777 6.323 1.00 0.00 C ATOM 1643 C THR A 104 112.803 -1.175 5.814 1.00 0.00 C ATOM 1644 O THR A 104 113.484 -0.445 6.506 1.00 0.00 O ATOM 1645 CB THR A 104 110.336 -1.237 5.486 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.665 -1.324 4.106 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.087 0.223 5.865 1.00 0.00 C ATOM 0 H THR A 104 111.277 -0.422 7.955 1.00 0.00 H new ATOM 0 HA THR A 104 111.562 -2.862 6.239 1.00 0.00 H new ATOM 0 HB THR A 104 109.438 -1.824 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.793 -2.264 3.859 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.261 0.617 5.272 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.836 0.286 6.924 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.986 0.808 5.669 1.00 0.00 H new ATOM 1655 N VAL A 105 113.149 -1.483 4.591 1.00 0.00 N ATOM 1656 CA VAL A 105 114.401 -0.945 4.000 1.00 0.00 C ATOM 1657 C VAL A 105 114.208 -0.771 2.491 1.00 0.00 C ATOM 1658 O VAL A 105 113.372 -1.411 1.887 1.00 0.00 O ATOM 1659 CB VAL A 105 115.549 -1.922 4.260 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.854 -1.330 3.728 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.678 -2.167 5.765 1.00 0.00 C ATOM 0 H VAL A 105 112.610 -2.090 3.974 1.00 0.00 H new ATOM 0 HA VAL A 105 114.638 0.018 4.453 1.00 0.00 H new ATOM 0 HB VAL A 105 115.345 -2.865 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.672 -2.026 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.763 -1.154 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 105 117.059 -0.387 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.496 -2.863 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.882 -1.223 6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.748 -2.589 6.146 1.00 0.00 H new ATOM 1671 N ARG A 106 114.971 0.095 1.878 1.00 0.00 N ATOM 1672 CA ARG A 106 114.824 0.312 0.411 1.00 0.00 C ATOM 1673 C ARG A 106 116.171 0.087 -0.280 1.00 0.00 C ATOM 1674 O ARG A 106 117.196 0.570 0.163 1.00 0.00 O ATOM 1675 CB ARG A 106 114.351 1.745 0.153 1.00 0.00 C ATOM 1676 CG ARG A 106 112.823 1.797 0.195 1.00 0.00 C ATOM 1677 CD ARG A 106 112.350 3.203 -0.180 1.00 0.00 C ATOM 1678 NE ARG A 106 110.873 3.196 -0.375 1.00 0.00 N ATOM 1679 CZ ARG A 106 110.199 4.310 -0.299 1.00 0.00 C ATOM 1680 NH1 ARG A 106 108.906 4.305 -0.471 1.00 0.00 N ATOM 1681 NH2 ARG A 106 110.819 5.432 -0.050 1.00 0.00 N ATOM 0 H ARG A 106 115.689 0.661 2.331 1.00 0.00 H new ATOM 0 HA ARG A 106 114.092 -0.391 0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 106 114.768 2.417 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.710 2.088 -0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 106 112.404 1.065 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.467 1.536 1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 106 112.620 3.910 0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.846 3.534 -1.092 1.00 0.00 H new ATOM 0 HE ARG A 106 110.389 2.319 -0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 106 108.421 3.429 -0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 106 108.380 5.177 -0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 106 111.830 5.437 0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 106 110.292 6.303 0.009 1.00 0.00 H new ATOM 1695 N GLU A 107 116.174 -0.644 -1.363 1.00 0.00 N ATOM 1696 CA GLU A 107 117.446 -0.906 -2.091 1.00 0.00 C ATOM 1697 C GLU A 107 117.206 -0.706 -3.592 1.00 0.00 C ATOM 1698 O GLU A 107 116.086 -0.775 -4.060 1.00 0.00 O ATOM 1699 CB GLU A 107 117.900 -2.346 -1.798 1.00 0.00 C ATOM 1700 CG GLU A 107 118.312 -3.053 -3.091 1.00 0.00 C ATOM 1701 CD GLU A 107 118.915 -4.418 -2.753 1.00 0.00 C ATOM 1702 OE1 GLU A 107 118.232 -5.203 -2.115 1.00 0.00 O ATOM 1703 OE2 GLU A 107 120.047 -4.655 -3.137 1.00 0.00 O ATOM 0 H GLU A 107 115.345 -1.072 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 107 118.227 -0.219 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 107 118.737 -2.334 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 107 117.092 -2.897 -1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 107 117.447 -3.176 -3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.037 -2.447 -3.635 1.00 0.00 H new ATOM 1710 N ILE A 108 118.240 -0.455 -4.351 1.00 0.00 N ATOM 1711 CA ILE A 108 118.070 -0.250 -5.803 1.00 0.00 C ATOM 1712 C ILE A 108 118.923 -1.275 -6.533 1.00 0.00 C ATOM 1713 O ILE A 108 120.032 -0.997 -6.947 1.00 0.00 O ATOM 1714 CB ILE A 108 118.546 1.149 -6.171 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.905 2.183 -5.229 1.00 0.00 C ATOM 1716 CG2 ILE A 108 118.156 1.433 -7.616 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.697 2.836 -5.904 1.00 0.00 C ATOM 0 H ILE A 108 119.201 -0.384 -4.016 1.00 0.00 H new ATOM 0 HA ILE A 108 117.022 -0.362 -6.080 1.00 0.00 H new ATOM 0 HB ILE A 108 119.629 1.215 -6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 108 117.595 1.699 -4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.637 2.945 -4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 108 118.491 2.432 -7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.625 0.698 -8.271 1.00 0.00 H new ATOM 0 HG23 ILE A 108 117.073 1.372 -7.719 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.252 3.566 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.017 3.337 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.960 2.072 -6.149 1.00 0.00 H new ATOM 1729 N ILE A 109 118.422 -2.459 -6.685 1.00 0.00 N ATOM 1730 CA ILE A 109 119.215 -3.505 -7.379 1.00 0.00 C ATOM 1731 C ILE A 109 119.451 -3.073 -8.824 1.00 0.00 C ATOM 1732 O ILE A 109 118.660 -3.339 -9.706 1.00 0.00 O ATOM 1733 CB ILE A 109 118.458 -4.836 -7.346 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.694 -5.515 -5.993 1.00 0.00 C ATOM 1735 CG2 ILE A 109 118.963 -5.749 -8.468 1.00 0.00 C ATOM 1736 CD1 ILE A 109 117.825 -6.769 -5.888 1.00 0.00 C ATOM 0 H ILE A 109 117.500 -2.751 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 109 120.174 -3.635 -6.877 1.00 0.00 H new ATOM 0 HB ILE A 109 117.393 -4.651 -7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 109 119.746 -5.780 -5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.455 -4.826 -5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 109 118.421 -6.694 -8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 109 118.800 -5.266 -9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.028 -5.937 -8.332 1.00 0.00 H new ATOM 0 HD11 ILE A 109 117.995 -7.250 -4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 109 116.774 -6.492 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.085 -7.460 -6.690 1.00 0.00 H new ATOM 1748 N GLY A 110 120.545 -2.411 -9.067 1.00 0.00 N ATOM 1749 CA GLY A 110 120.860 -1.961 -10.452 1.00 0.00 C ATOM 1750 C GLY A 110 119.690 -1.157 -11.029 1.00 0.00 C ATOM 1751 O GLY A 110 119.713 0.059 -11.048 1.00 0.00 O ATOM 0 H GLY A 110 121.239 -2.160 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.763 -1.350 -10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.064 -2.825 -11.085 1.00 0.00 H new ATOM 1755 N ASP A 111 118.674 -1.823 -11.516 1.00 0.00 N ATOM 1756 CA ASP A 111 117.517 -1.092 -12.107 1.00 0.00 C ATOM 1757 C ASP A 111 116.206 -1.578 -11.483 1.00 0.00 C ATOM 1758 O ASP A 111 115.164 -1.550 -12.107 1.00 0.00 O ATOM 1759 CB ASP A 111 117.481 -1.330 -13.618 1.00 0.00 C ATOM 1760 CG ASP A 111 118.894 -1.193 -14.189 1.00 0.00 C ATOM 1761 OD1 ASP A 111 119.146 -0.209 -14.863 1.00 0.00 O ATOM 1762 OD2 ASP A 111 119.699 -2.076 -13.942 1.00 0.00 O ATOM 0 H ASP A 111 118.597 -2.840 -11.529 1.00 0.00 H new ATOM 0 HA ASP A 111 117.632 -0.027 -11.904 1.00 0.00 H new ATOM 0 HB2 ASP A 111 117.086 -2.323 -13.831 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.813 -0.612 -14.094 1.00 0.00 H new ATOM 1767 N GLU A 112 116.248 -2.015 -10.259 1.00 0.00 N ATOM 1768 CA GLU A 112 115.004 -2.493 -9.592 1.00 0.00 C ATOM 1769 C GLU A 112 114.957 -1.934 -8.171 1.00 0.00 C ATOM 1770 O GLU A 112 115.976 -1.788 -7.526 1.00 0.00 O ATOM 1771 CB GLU A 112 115.003 -4.023 -9.546 1.00 0.00 C ATOM 1772 CG GLU A 112 114.942 -4.578 -10.969 1.00 0.00 C ATOM 1773 CD GLU A 112 114.375 -6.000 -10.939 1.00 0.00 C ATOM 1774 OE1 GLU A 112 113.185 -6.137 -10.710 1.00 0.00 O ATOM 1775 OE2 GLU A 112 115.141 -6.926 -11.147 1.00 0.00 O ATOM 0 H GLU A 112 117.092 -2.063 -9.688 1.00 0.00 H new ATOM 0 HA GLU A 112 114.131 -2.153 -10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.901 -4.382 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.150 -4.379 -8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 112 114.317 -3.939 -11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 112 115.938 -4.581 -11.412 1.00 0.00 H new ATOM 1782 N LEU A 113 113.792 -1.618 -7.669 1.00 0.00 N ATOM 1783 CA LEU A 113 113.720 -1.068 -6.281 1.00 0.00 C ATOM 1784 C LEU A 113 113.225 -2.156 -5.334 1.00 0.00 C ATOM 1785 O LEU A 113 112.103 -2.611 -5.429 1.00 0.00 O ATOM 1786 CB LEU A 113 112.765 0.128 -6.240 1.00 0.00 C ATOM 1787 CG LEU A 113 112.758 0.745 -4.840 1.00 0.00 C ATOM 1788 CD1 LEU A 113 113.955 1.687 -4.688 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.463 1.537 -4.644 1.00 0.00 C ATOM 0 H LEU A 113 112.898 -1.715 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 113 114.711 -0.737 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 113 113.072 0.874 -6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.758 -0.191 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 113 112.823 -0.047 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 113 113.948 2.126 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.879 1.127 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.891 2.480 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.454 1.978 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.403 2.328 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.608 0.869 -4.753 1.00 0.00 H new ATOM 1801 N VAL A 114 114.055 -2.582 -4.423 1.00 0.00 N ATOM 1802 CA VAL A 114 113.631 -3.645 -3.476 1.00 0.00 C ATOM 1803 C VAL A 114 113.223 -3.014 -2.147 1.00 0.00 C ATOM 1804 O VAL A 114 114.047 -2.527 -1.399 1.00 0.00 O ATOM 1805 CB VAL A 114 114.791 -4.615 -3.243 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.315 -5.778 -2.369 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.286 -5.155 -4.588 1.00 0.00 C ATOM 0 H VAL A 114 115.007 -2.239 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 114 112.783 -4.185 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 114 115.606 -4.093 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.141 -6.470 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.965 -5.394 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.500 -6.300 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.112 -5.846 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.473 -5.677 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.626 -4.327 -5.210 1.00 0.00 H new ATOM 1817 N GLN A 115 111.956 -3.033 -1.842 1.00 0.00 N ATOM 1818 CA GLN A 115 111.491 -2.450 -0.557 1.00 0.00 C ATOM 1819 C GLN A 115 111.108 -3.596 0.374 1.00 0.00 C ATOM 1820 O GLN A 115 110.078 -4.221 0.210 1.00 0.00 O ATOM 1821 CB GLN A 115 110.272 -1.559 -0.806 1.00 0.00 C ATOM 1822 CG GLN A 115 109.990 -0.716 0.439 1.00 0.00 C ATOM 1823 CD GLN A 115 108.931 0.338 0.113 1.00 0.00 C ATOM 1824 OE1 GLN A 115 108.749 0.699 -1.033 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.218 0.851 1.078 1.00 0.00 N ATOM 0 H GLN A 115 111.222 -3.428 -2.430 1.00 0.00 H new ATOM 0 HA GLN A 115 112.280 -1.847 -0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.452 -0.911 -1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.404 -2.172 -1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.645 -1.354 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.906 -0.233 0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 115 108.370 0.549 2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.509 1.554 0.870 1.00 0.00 H new ATOM 1834 N THR A 116 111.934 -3.896 1.336 1.00 0.00 N ATOM 1835 CA THR A 116 111.616 -5.021 2.254 1.00 0.00 C ATOM 1836 C THR A 116 111.063 -4.482 3.566 1.00 0.00 C ATOM 1837 O THR A 116 111.469 -3.446 4.046 1.00 0.00 O ATOM 1838 CB THR A 116 112.885 -5.824 2.539 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.768 -5.725 1.430 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.521 -7.289 2.779 1.00 0.00 C ATOM 0 H THR A 116 112.812 -3.412 1.525 1.00 0.00 H new ATOM 0 HA THR A 116 110.871 -5.662 1.783 1.00 0.00 H new ATOM 0 HB THR A 116 113.375 -5.425 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.582 -6.238 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.427 -7.860 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.847 -7.361 3.633 1.00 0.00 H new ATOM 0 HG23 THR A 116 112.029 -7.691 1.893 1.00 0.00 H new ATOM 1848 N TYR A 117 110.151 -5.194 4.158 1.00 0.00 N ATOM 1849 CA TYR A 117 109.582 -4.741 5.457 1.00 0.00 C ATOM 1850 C TYR A 117 109.658 -5.869 6.468 1.00 0.00 C ATOM 1851 O TYR A 117 109.613 -7.034 6.134 1.00 0.00 O ATOM 1852 CB TYR A 117 108.117 -4.319 5.313 1.00 0.00 C ATOM 1853 CG TYR A 117 107.880 -3.751 3.947 1.00 0.00 C ATOM 1854 CD1 TYR A 117 108.018 -4.575 2.841 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.514 -2.410 3.791 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.793 -4.067 1.558 1.00 0.00 C ATOM 1857 CE2 TYR A 117 107.289 -1.894 2.511 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.428 -2.724 1.391 1.00 0.00 C ATOM 1859 OH TYR A 117 107.205 -2.221 0.126 1.00 0.00 O ATOM 0 H TYR A 117 109.773 -6.071 3.800 1.00 0.00 H new ATOM 0 HA TYR A 117 110.165 -3.882 5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.465 -5.177 5.477 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.867 -3.578 6.072 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.299 -5.610 2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.405 -1.774 4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.900 -4.709 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 117 107.009 -0.858 2.386 1.00 0.00 H new ATOM 0 HH TYR A 117 106.736 -1.363 0.193 1.00 0.00 H new ATOM 1869 N VAL A 118 109.739 -5.510 7.703 1.00 0.00 N ATOM 1870 CA VAL A 118 109.783 -6.522 8.792 1.00 0.00 C ATOM 1871 C VAL A 118 108.588 -6.297 9.685 1.00 0.00 C ATOM 1872 O VAL A 118 108.124 -5.185 9.859 1.00 0.00 O ATOM 1873 CB VAL A 118 111.042 -6.373 9.641 1.00 0.00 C ATOM 1874 CG1 VAL A 118 111.207 -7.610 10.529 1.00 0.00 C ATOM 1875 CG2 VAL A 118 112.267 -6.215 8.736 1.00 0.00 C ATOM 0 H VAL A 118 109.778 -4.541 8.019 1.00 0.00 H new ATOM 0 HA VAL A 118 109.779 -7.516 8.346 1.00 0.00 H new ATOM 0 HB VAL A 118 110.951 -5.486 10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 118 112.106 -7.505 11.136 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.339 -7.709 11.181 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.294 -8.498 9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 118 113.162 -6.109 9.350 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.365 -7.095 8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 118 112.147 -5.328 8.113 1.00 0.00 H new ATOM 1885 N TYR A 119 108.086 -7.339 10.249 1.00 0.00 N ATOM 1886 CA TYR A 119 106.906 -7.180 11.130 1.00 0.00 C ATOM 1887 C TYR A 119 106.981 -8.136 12.321 1.00 0.00 C ATOM 1888 O TYR A 119 106.840 -9.337 12.191 1.00 0.00 O ATOM 1889 CB TYR A 119 105.640 -7.452 10.322 1.00 0.00 C ATOM 1890 CG TYR A 119 104.573 -6.469 10.720 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.835 -6.694 11.879 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.317 -5.343 9.930 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.830 -5.795 12.257 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.317 -4.440 10.305 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.571 -4.666 11.469 1.00 0.00 C ATOM 1896 OH TYR A 119 101.582 -3.779 11.837 1.00 0.00 O ATOM 0 H TYR A 119 108.434 -8.292 10.144 1.00 0.00 H new ATOM 0 HA TYR A 119 106.888 -6.161 11.516 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.850 -7.366 9.256 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.295 -8.471 10.498 1.00 0.00 H new ATOM 0 HD1 TYR A 119 104.038 -7.563 12.487 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.891 -5.171 9.031 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.256 -5.972 13.154 1.00 0.00 H new ATOM 0 HE2 TYR A 119 103.120 -3.569 9.698 1.00 0.00 H new ATOM 0 HH TYR A 119 100.791 -4.276 12.133 1.00 0.00 H new ATOM 1906 N GLU A 120 107.184 -7.587 13.481 1.00 0.00 N ATOM 1907 CA GLU A 120 107.249 -8.407 14.726 1.00 0.00 C ATOM 1908 C GLU A 120 108.172 -9.605 14.542 1.00 0.00 C ATOM 1909 O GLU A 120 108.118 -10.562 15.290 1.00 0.00 O ATOM 1910 CB GLU A 120 105.845 -8.893 15.094 1.00 0.00 C ATOM 1911 CG GLU A 120 105.033 -7.727 15.661 1.00 0.00 C ATOM 1912 CD GLU A 120 103.540 -8.023 15.509 1.00 0.00 C ATOM 1913 OE1 GLU A 120 103.206 -9.169 15.257 1.00 0.00 O ATOM 1914 OE2 GLU A 120 102.756 -7.098 15.649 1.00 0.00 O ATOM 0 H GLU A 120 107.311 -6.585 13.626 1.00 0.00 H new ATOM 0 HA GLU A 120 107.647 -7.785 15.528 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.348 -9.302 14.214 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.908 -9.697 15.827 1.00 0.00 H new ATOM 0 HG2 GLU A 120 105.279 -7.576 16.712 1.00 0.00 H new ATOM 0 HG3 GLU A 120 105.287 -6.805 15.138 1.00 0.00 H new ATOM 1921 N GLY A 121 109.018 -9.561 13.564 1.00 0.00 N ATOM 1922 CA GLY A 121 109.951 -10.699 13.341 1.00 0.00 C ATOM 1923 C GLY A 121 109.587 -11.392 12.039 1.00 0.00 C ATOM 1924 O GLY A 121 109.826 -12.571 11.859 1.00 0.00 O ATOM 0 H GLY A 121 109.109 -8.788 12.905 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.979 -10.340 13.301 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.891 -11.403 14.171 1.00 0.00 H new ATOM 1928 N VAL A 122 109.026 -10.663 11.118 1.00 0.00 N ATOM 1929 CA VAL A 122 108.664 -11.256 9.818 1.00 0.00 C ATOM 1930 C VAL A 122 109.370 -10.460 8.754 1.00 0.00 C ATOM 1931 O VAL A 122 110.046 -9.495 9.041 1.00 0.00 O ATOM 1932 CB VAL A 122 107.156 -11.199 9.596 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.783 -9.937 8.816 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.712 -12.432 8.815 1.00 0.00 C ATOM 0 H VAL A 122 108.803 -9.673 11.218 1.00 0.00 H new ATOM 0 HA VAL A 122 108.960 -12.304 9.786 1.00 0.00 H new ATOM 0 HB VAL A 122 106.655 -11.176 10.564 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.704 -9.909 8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 122 107.094 -9.057 9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.285 -9.945 7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.634 -12.393 8.655 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.221 -12.455 7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.963 -13.330 9.379 1.00 0.00 H new ATOM 1944 N GLU A 123 109.236 -10.846 7.536 1.00 0.00 N ATOM 1945 CA GLU A 123 109.933 -10.079 6.479 1.00 0.00 C ATOM 1946 C GLU A 123 109.230 -10.232 5.126 1.00 0.00 C ATOM 1947 O GLU A 123 109.078 -11.321 4.610 1.00 0.00 O ATOM 1948 CB GLU A 123 111.377 -10.579 6.371 1.00 0.00 C ATOM 1949 CG GLU A 123 111.949 -10.229 4.995 1.00 0.00 C ATOM 1950 CD GLU A 123 113.473 -10.126 5.085 1.00 0.00 C ATOM 1951 OE1 GLU A 123 114.080 -9.733 4.103 1.00 0.00 O ATOM 1952 OE2 GLU A 123 114.009 -10.441 6.136 1.00 0.00 O ATOM 0 H GLU A 123 108.685 -11.645 7.221 1.00 0.00 H new ATOM 0 HA GLU A 123 109.918 -9.023 6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.987 -10.127 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.410 -11.658 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.668 -10.991 4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.530 -9.285 4.645 1.00 0.00 H new ATOM 1959 N ALA A 124 108.831 -9.135 4.540 1.00 0.00 N ATOM 1960 CA ALA A 124 108.170 -9.184 3.205 1.00 0.00 C ATOM 1961 C ALA A 124 109.056 -8.435 2.208 1.00 0.00 C ATOM 1962 O ALA A 124 109.850 -7.601 2.593 1.00 0.00 O ATOM 1963 CB ALA A 124 106.791 -8.523 3.279 1.00 0.00 C ATOM 0 H ALA A 124 108.936 -8.200 4.933 1.00 0.00 H new ATOM 0 HA ALA A 124 108.038 -10.219 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.315 -8.563 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 124 106.173 -9.051 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.902 -7.483 3.586 1.00 0.00 H new ATOM 1969 N LYS A 125 108.950 -8.721 0.936 1.00 0.00 N ATOM 1970 CA LYS A 125 109.822 -8.009 -0.039 1.00 0.00 C ATOM 1971 C LYS A 125 109.035 -7.574 -1.274 1.00 0.00 C ATOM 1972 O LYS A 125 108.220 -8.305 -1.801 1.00 0.00 O ATOM 1973 CB LYS A 125 110.960 -8.934 -0.471 1.00 0.00 C ATOM 1974 CG LYS A 125 112.088 -8.103 -1.086 1.00 0.00 C ATOM 1975 CD LYS A 125 113.099 -9.033 -1.760 1.00 0.00 C ATOM 1976 CE LYS A 125 113.780 -9.906 -0.703 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.151 -9.068 0.472 1.00 0.00 N ATOM 0 H LYS A 125 108.308 -9.406 0.537 1.00 0.00 H new ATOM 0 HA LYS A 125 110.219 -7.118 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.333 -9.494 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.595 -9.663 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.681 -7.401 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.580 -7.511 -0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 125 112.596 -9.661 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.845 -8.447 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 125 113.111 -10.709 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 125 114.669 -10.376 -1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 114.989 -9.473 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 114.364 -8.101 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 113.359 -9.045 1.146 1.00 0.00 H new ATOM 1991 N ARG A 126 109.301 -6.388 -1.748 1.00 0.00 N ATOM 1992 CA ARG A 126 108.608 -5.880 -2.966 1.00 0.00 C ATOM 1993 C ARG A 126 109.671 -5.336 -3.925 1.00 0.00 C ATOM 1994 O ARG A 126 110.347 -4.373 -3.627 1.00 0.00 O ATOM 1995 CB ARG A 126 107.633 -4.759 -2.580 1.00 0.00 C ATOM 1996 CG ARG A 126 106.207 -5.148 -2.985 1.00 0.00 C ATOM 1997 CD ARG A 126 105.291 -3.928 -2.870 1.00 0.00 C ATOM 1998 NE ARG A 126 104.859 -3.758 -1.453 1.00 0.00 N ATOM 1999 CZ ARG A 126 103.641 -4.069 -1.090 1.00 0.00 C ATOM 2000 NH1 ARG A 126 103.273 -3.905 0.151 1.00 0.00 N ATOM 2001 NH2 ARG A 126 102.795 -4.546 -1.962 1.00 0.00 N ATOM 0 H ARG A 126 109.976 -5.742 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 126 108.044 -6.682 -3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.679 -4.578 -1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.920 -3.830 -3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.199 -5.527 -4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 126 105.842 -5.951 -2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.814 -3.035 -3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.420 -4.053 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 126 105.517 -3.397 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 126 103.934 -3.535 0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 126 102.324 -4.146 0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.082 -4.678 -2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 126 101.847 -4.787 -1.674 1.00 0.00 H new ATOM 2015 N ILE A 127 109.846 -5.956 -5.060 1.00 0.00 N ATOM 2016 CA ILE A 127 110.892 -5.478 -6.012 1.00 0.00 C ATOM 2017 C ILE A 127 110.257 -4.833 -7.241 1.00 0.00 C ATOM 2018 O ILE A 127 109.478 -5.443 -7.947 1.00 0.00 O ATOM 2019 CB ILE A 127 111.743 -6.665 -6.462 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.308 -7.392 -5.234 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.894 -6.168 -7.344 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.306 -8.899 -5.489 1.00 0.00 C ATOM 0 H ILE A 127 109.313 -6.769 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 127 111.508 -4.736 -5.504 1.00 0.00 H new ATOM 0 HB ILE A 127 111.124 -7.356 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.322 -7.048 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.709 -7.160 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.500 -7.016 -7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.489 -5.661 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.513 -5.473 -6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.707 -9.416 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.286 -9.236 -5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.924 -9.122 -6.359 1.00 0.00 H new ATOM 2034 N PHE A 128 110.605 -3.604 -7.514 1.00 0.00 N ATOM 2035 CA PHE A 128 110.045 -2.918 -8.714 1.00 0.00 C ATOM 2036 C PHE A 128 111.087 -2.935 -9.837 1.00 0.00 C ATOM 2037 O PHE A 128 112.216 -3.342 -9.645 1.00 0.00 O ATOM 2038 CB PHE A 128 109.707 -1.453 -8.383 1.00 0.00 C ATOM 2039 CG PHE A 128 108.822 -1.356 -7.164 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.140 -2.478 -6.710 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.683 -0.135 -6.494 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.310 -2.393 -5.586 1.00 0.00 C ATOM 2043 CE2 PHE A 128 107.856 -0.044 -5.368 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.168 -1.174 -4.914 1.00 0.00 C ATOM 0 H PHE A 128 111.253 -3.046 -6.958 1.00 0.00 H new ATOM 0 HA PHE A 128 109.139 -3.439 -9.025 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.628 -0.895 -8.212 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.208 -0.991 -9.235 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.251 -3.420 -7.227 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.214 0.737 -6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.780 -3.267 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 128 107.749 0.898 -4.850 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.528 -1.106 -4.046 1.00 0.00 H new ATOM 2054 N LYS A 129 110.713 -2.481 -11.003 1.00 0.00 N ATOM 2055 CA LYS A 129 111.665 -2.457 -12.149 1.00 0.00 C ATOM 2056 C LYS A 129 111.136 -1.501 -13.222 1.00 0.00 C ATOM 2057 O LYS A 129 109.970 -1.161 -13.243 1.00 0.00 O ATOM 2058 CB LYS A 129 111.791 -3.863 -12.739 1.00 0.00 C ATOM 2059 CG LYS A 129 112.779 -3.839 -13.908 1.00 0.00 C ATOM 2060 CD LYS A 129 113.210 -5.269 -14.241 1.00 0.00 C ATOM 2061 CE LYS A 129 114.282 -5.240 -15.332 1.00 0.00 C ATOM 2062 NZ LYS A 129 114.610 -6.633 -15.742 1.00 0.00 N ATOM 0 H LYS A 129 109.781 -2.123 -11.211 1.00 0.00 H new ATOM 0 HA LYS A 129 112.643 -2.120 -11.805 1.00 0.00 H new ATOM 0 HB2 LYS A 129 112.133 -4.561 -11.974 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.817 -4.215 -13.079 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.317 -3.375 -14.779 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.650 -3.236 -13.650 1.00 0.00 H new ATOM 0 HD2 LYS A 129 113.598 -5.760 -13.349 1.00 0.00 H new ATOM 0 HD3 LYS A 129 112.351 -5.850 -14.576 1.00 0.00 H new ATOM 0 HE2 LYS A 129 113.927 -4.671 -16.191 1.00 0.00 H new ATOM 0 HE3 LYS A 129 115.177 -4.737 -14.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 115.339 -6.614 -16.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 114.966 -7.162 -14.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 113.755 -7.097 -16.109 1.00 0.00 H new ATOM 2076 N LYS A 130 111.984 -1.059 -14.109 1.00 0.00 N ATOM 2077 CA LYS A 130 111.531 -0.122 -15.173 1.00 0.00 C ATOM 2078 C LYS A 130 110.245 -0.652 -15.812 1.00 0.00 C ATOM 2079 O LYS A 130 110.148 -1.811 -16.163 1.00 0.00 O ATOM 2080 CB LYS A 130 112.619 -0.001 -16.243 1.00 0.00 C ATOM 2081 CG LYS A 130 113.622 1.081 -15.834 1.00 0.00 C ATOM 2082 CD LYS A 130 113.129 2.447 -16.316 1.00 0.00 C ATOM 2083 CE LYS A 130 113.593 2.680 -17.755 1.00 0.00 C ATOM 2084 NZ LYS A 130 112.808 3.794 -18.357 1.00 0.00 N ATOM 0 H LYS A 130 112.973 -1.307 -14.142 1.00 0.00 H new ATOM 0 HA LYS A 130 111.340 0.857 -14.734 1.00 0.00 H new ATOM 0 HB2 LYS A 130 113.129 -0.956 -16.367 1.00 0.00 H new ATOM 0 HB3 LYS A 130 112.171 0.249 -17.205 1.00 0.00 H new ATOM 0 HG2 LYS A 130 113.743 1.088 -14.751 1.00 0.00 H new ATOM 0 HG3 LYS A 130 114.601 0.864 -16.262 1.00 0.00 H new ATOM 0 HD2 LYS A 130 112.041 2.492 -16.262 1.00 0.00 H new ATOM 0 HD3 LYS A 130 113.514 3.234 -15.667 1.00 0.00 H new ATOM 0 HE2 LYS A 130 114.656 2.920 -17.771 1.00 0.00 H new ATOM 0 HE3 LYS A 130 113.463 1.771 -18.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 113.124 3.952 -19.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 111.798 3.547 -18.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 112.954 4.661 -17.802 1.00 0.00 H new ATOM 2098 N ASP A 131 109.257 0.188 -15.963 1.00 0.00 N ATOM 2099 CA ASP A 131 107.979 -0.267 -16.578 1.00 0.00 C ATOM 2100 C ASP A 131 108.258 -0.846 -17.966 1.00 0.00 C ATOM 2101 O ASP A 131 109.420 -1.051 -18.278 1.00 0.00 O ATOM 2102 CB ASP A 131 107.021 0.920 -16.703 1.00 0.00 C ATOM 2103 CG ASP A 131 107.673 2.015 -17.549 1.00 0.00 C ATOM 2104 OD1 ASP A 131 108.733 1.760 -18.099 1.00 0.00 O ATOM 2105 OD2 ASP A 131 107.103 3.090 -17.633 1.00 0.00 O ATOM 0 H ASP A 131 109.280 1.170 -15.687 1.00 0.00 H new ATOM 0 HA ASP A 131 107.527 -1.034 -15.949 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.086 0.599 -17.162 1.00 0.00 H new ATOM 0 HB3 ASP A 131 106.774 1.308 -15.715 1.00 0.00 H new